/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * GRowing Old MAkes el Chrono Sweat
*/
static char *SRCID_3dview_c = "$Id$";
-
#include <math.h>
#include "sysstuff.h"
#include "smalloc.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * GRowing Old MAkes el Chrono Sweat
*/
static char *SRCID_atomprop_c = "$Id$";
-
#include <ctype.h>
#include "sysstuff.h"
#include "smalloc.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Good ROcking Metal Altar for Chronical Sinners
*/
static char *SRCID_bfunc_h = "$Id$";
-
/*
* bfunc.h
*
* Bcopy/Memcpy patch.
*
$Log$
+Revision 1.6 2001/05/14 17:58:06 lindahl
+
+Tagged files with gromacs 3.0 header
+
Revision 1.5 1999/11/03 12:45:47 hess
copyrgted
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Good ROcking Metal Altar for Chronical Sinners
*/
static char *SRCID_binio_c = "$Id$";
-
#include <stdio.h>
#include <errno.h>
#include "sysstuff.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Gromacs Runs On Most of All Computer Systems
*/
static char *SRCID_block_tx_c = "$Id$";
-
#include "network.h"
#include "block_tx.h"
#include "fatal.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Gromacs Runs On Most of All Computer Systems
*/
static char *SRCID_bondfree_c = "$Id$";
-
#include <math.h>
#include "assert.h"
#include "physics.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Gromacs Runs On Most of All Computer Systems
*/
static char *SRCID_buffer_c = "$Id$";
-
#include "buffer.h"
extern int filler;
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gromacs Runs On Most of All Computer Systems
*/
static char *SRCID_calcgrid_c = "$Id$";
-
#include "typedefs.h"
#include "smalloc.h"
#include "fatal.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Gromacs Runs On Most of All Computer Systems
*/
static char *SRCID_calch_c = "$Id$";
-
#include "macros.h"
#include "calch.h"
#include "maths.h"
-#ifdef HAVE_CONFIG_H
+/*
+ * $Id$
+ *
+ * This source code is part of
+ *
+ * G R O M A C S
+ *
+ * GROningen MAchine for Chemical Simulations
+ *
+ * VERSION 3.0
+ *
+ * Copyright (c) 1991-2001
+ * BIOSON Research Institute, Dept. of Biophysical Chemistry
+ * University of Groningen, The Netherlands
+ *
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
+ *
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+ *
+ * And Hey:
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ */
+static char *SRCID_cinvsqrtdata_c = "$Id$";
#include <config.h>
#endif
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_comlib_c = "$Id$";
-
#define DUALC_PORT 0xb0001000 /* Communication area */
#define DUAL_PORT 0xb0000000 /* Data area */
#define RX_CMD 8*0x18 /* Command receive */
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_confio_c = "$Id$";
-
#include <math.h>
#include "sysstuff.h"
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_copyrite_c = "$Id$";
-
#include <string.h>
#include <ctype.h>
#include "sysstuff.h"
-#ifdef HAVE_CONFIG_H
+/*
+ * $Id$
+ *
+ * This source code is part of
+ *
+ * G R O M A C S
+ *
+ * GROningen MAchine for Chemical Simulations
+ *
+ * VERSION 3.0
+ *
+ * Copyright (c) 1991-2001
+ * BIOSON Research Institute, Dept. of Biophysical Chemistry
+ * University of Groningen, The Netherlands
+ *
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
+ *
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+ *
+ * And Hey:
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ */
+static char *SRCID_crecipdata_c = "$Id$";
#include <config.h>
#endif
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_debugb_h = "$Id$";
-
#ifndef DEBUG
#define DEBUG_BOND(log,x,ai,aj,dx,dr2,dr,bondparams,delta_r,vbond,fbond,fij)
#define DEBUG_ANGLE_UPD(log,f_i,f_j,f_k)
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Great Red Owns Many ACres of Sand
*/
static char *SRCID_disre_c = "$Id$";
-
#include <math.h>
#include "typedefs.h"
#include "sysstuff.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Great Red Owns Many ACres of Sand
*/
static char *SRCID_dlb_c = "$Id$";
-
#include "sysstuff.h"
#include "smalloc.h"
#include "macros.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Great Red Owns Many ACres of Sand
*/
#ifndef _dlb_h
#define _dlb_h
static char *SRCID_dlb_h = "$Id$";
-
#ifdef HAVE_IDENT
#ident "@(#) dlb.h 1.3 31 Jan 1995"
#endif /* HAVE_IDENT */
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Great Red Owns Many ACres of Sand
*/
static char *SRCID_do_fit_c = "$Id$";
-
#include "maths.h"
#include "sysstuff.h"
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Great Red Owns Many ACres of Sand
*/
static char *SRCID_dumxdrf_c = "$Id$";
-
#include "fatal.h"
#include "xdrf.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Great Red Owns Many ACres of Sand
*/
static char *SRCID_enxio_c = "$Id$";
-
#include "futil.h"
#include "string2.h"
#include "fatal.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Great Red Owns Many ACres of Sand
*/
static char *SRCID_ewald_util_c = "$Id$";
-
#include <stdio.h>
#include <math.h>
#include "assert.h"
-#ifdef HAVE_CONFIG_H
+/*
+ * $Id$
+ *
+ * This source code is part of
+ *
+ * G R O M A C S
+ *
+ * GROningen MAchine for Chemical Simulations
+ *
+ * VERSION 3.0
+ *
+ * Copyright (c) 1991-2001
+ * BIOSON Research Institute, Dept. of Biophysical Chemistry
+ * University of Groningen, The Netherlands
+ *
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
+ *
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+ *
+ * And Hey:
+ * S C A M O R G
+ */
+static char *SRCID_f77_wrappers_c = "$Id$";
#include <config.h>
#endif
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * S C A M O R G
*/
static char *SRCID_fatal_c = "$Id$";
-
#include <sysstuff.h>
#include <ctype.h>
#include <errno.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * S C A M O R G
*/
static char *SRCID_ffscanf_c = "$Id$";
-
#include <stdarg.h>
#include <ctype.h>
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * S C A M O R G
*/
static char *SRCID_filenm_c = "$Id$";
-
#include <string.h>
#include "sysstuff.h"
#include "typedefs.h"
/*
- * $Id$
- *
- * This source code is part of
- *
- * G R O M A C S
- *
- * GROningen MAchine for Chemical Simulations
- *
- * VERSION 2.0
+ * $Id$
*
- * Copyright (c) 1991-1999
+ * This source code is part of
+ *
+ * G R O M A C S
+ *
+ * GROningen MAchine for Chemical Simulations
+ *
+ * VERSION 3.0
+ *
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
- *
- * Also check out our WWW page:
- * http://rugmd0.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
- *
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
+ *
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+ *
* And Hey:
- * GROningen MAchine for Chemical Simulation
+ * S C A M O R G
*/
+static char *SRCID_fnbf_c = "$Id$";
static char *SRCID_fnbf_c = "$Id$";
#ifdef USE_THREADS
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * GRowing Old MAkes el Chrono Sweat
*/
static char *SRCID_four1_c = "$Id$";
-
#include <math.h>
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * GRowing Old MAkes el Chrono Sweat
*/
static char *SRCID_fourn_c = "$Id$";
-
#include <math.h>
#include "typedefs.h"
#include "nr.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * GRowing Old MAkes el Chrono Sweat
*/
static char *SRCID_ftocstr_c = "$Id$";
-
int ftocstr(char *ds, int dl, char *ss, int sl)
/* dst, src ptrs */
/* dst max len */
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * GRowing Old MAkes el Chrono Sweat
*/
static char *SRCID_futil_c = "$Id$";
-
#include <stdio.h>
#include <stdlib.h>
#include "sysstuff.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Good ROcking Metal Altar for Chronical Sinners
*/
static char *SRCID_gbutil_c = "$Id$";
-
#include <math.h>
#include "macros.h"
#include "vec.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Good ROcking Metal Altar for Chronical Sinners
*/
static char *SRCID_gmxfio_c = "$Id$";
-
#include <ctype.h>
#include "fatal.h"
#include "macros.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Good ROcking Metal Altar for Chronical Sinners
*/
static char *SRCID_ifunc_c = "$Id$";
-
#include "typedefs.h"
#include "bondf.h"
#include "disre.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Good ROcking Metal Altar for Chronical Sinners
*/
static char *SRCID_index_c = "$Id$";
-
#include <ctype.h>
#include <string.h>
#include "sysstuff.h"
+/*
+ * $Id$
+ *
+ * This source code is part of
+ *
+ * G R O M A C S
+ *
+ * GROningen MAchine for Chemical Simulations
+ *
+ * VERSION 3.0
+ *
+ * Copyright (c) 1991-2001
+ * BIOSON Research Institute, Dept. of Biophysical Chemistry
+ * University of Groningen, The Netherlands
+ *
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
+ *
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+ *
+ * And Hey:
+ * Gromacs Runs On Most of All Computer Systems
+ */
+
#ifndef _inner_h
#define _inner_h
+
+static char *SRCID_inner_h = "$Id$";
#include <config.h>
#include <callf77.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Gromacs Runs On Most of All Computer Systems
*/
static char *SRCID_invblock_c = "$Id$";
-
#include "typedefs.h"
#include "smalloc.h"
#include "invblock.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Gromacs Runs On Most of All Computer Systems
*/
static char *SRCID_javaio_c = "$Id$";
-
#include <stdio.h>
#include "typedefs.h"
#include "smalloc.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Gromacs Runs On Most of All Computer Systems
*/
static char *SRCID_libnet_c = "$Id$";
-
#include "main.h"
#include "fatal.h"
#include "network.h"
-/*____________________________________________________________________________
- |
- | libxdrf - portable fortran interface to xdr. some xdr routines
- | are C routines for compressed coordinates
- |
- | version 1.1.1
- |
- | IMPORTANT CHANGE FROM VERSION 1.1:
- |
- | The fortran part of the interface is now only compiled
- | when --enable-fortran is used. The reason for this is that
- | we need the f77 compiler to construct the appropriate
- | F77_FUNC macros for the interface. /EL 2001-02-23
- |
- | This collection of routines is intended to write and read
- | data in a portable way to a file, so data written on one type
- | of machine can be read back on a different type.
- |
- | all fortran routines use an integer 'xdrid', which is an id to the
- | current xdr file, and is set by xdrfopen.
- | most routines have in integer 'ret' which is the return value.
- | The value of 'ret' is zero on failure, and most of the time one
- | on succes.
- |
- | There are three routines useful for C users:
- | xdropen(), xdrclose(), xdr3dfcoord().
- | The first two replace xdrstdio_create and xdr_destroy, and *must* be
- | used when you plan to use xdr3dfcoord(). (they are also a bit
- | easier to interface). For writing data other than compressed coordinates
- | you should use the standard C xdr routines (see xdr man page)
- |
- | xdrfopen(xdrid, filename, mode, ret)
- | character *(*) filename
- | character *(*) mode
- |
- | this will open the file with the given filename (string)
- | and the given mode, it returns an id in xdrid, which is
- | to be used in all other calls to xdrf routines.
- | mode is 'w' to create, or update an file, for all other
- | values of mode the file is opened for reading
- |
- | you need to call xdrfclose to flush the output and close
- | the file.
- | Note that you should not use xdrstdio_create, which comes with the
- | standard xdr library
- |
- | xdrfclose(xdrid, ret)
- | flush the data to the file, and closes the file;
- | You should not use xdr_destroy (which comes standard with
- | the xdr libraries.
- |
- | xdrfbool(xdrid, bp, ret)
- | integer pb
- |
- | This filter produces values of either 1 or 0
- |
- | xdrfchar(xdrid, cp, ret)
- | character cp
- |
- | filter that translate between characters and their xdr representation
- | Note that the characters in not compressed and occupies 4 bytes.
- |
- | xdrfdouble(xdrid, dp, ret)
- | double dp
- |
- | read/write a double.
- |
- | xdrffloat(xdrid, fp, ret)
- | float fp
- |
- | read/write a float.
- |
- | xdrfint(xdrid, ip, ret)
- | integer ip
- |
- | read/write integer.
- |
- | xdrflong(xdrid, lp, ret)
- | integer lp
- |
- | this routine has a possible portablility problem due to 64 bits longs.
- |
- | xdrfshort(xdrid, sp, ret)
- | integer *2 sp
- |
- | xdrfstring(xdrid, sp, maxsize, ret)
- | character *(*)
- | integer maxsize
- |
- | read/write a string, with maximum length given by maxsize
- |
- | xdrfwrapstring(xdris, sp, ret)
- | character *(*)
- |
- | read/write a string (it is the same as xdrfstring accept that it finds
- | the stringlength itself.
- |
- | xdrfvector(xdrid, cp, size, xdrfproc, ret)
- | character *(*)
- | integer size
- | external xdrfproc
- |
- | read/write an array pointed to by cp, with number of elements
- | defined by 'size'. the routine 'xdrfproc' is the name
- | of one of the above routines to read/write data (like xdrfdouble)
- | In contrast with the c-version you don't need to specify the
- | byte size of an element.
- | xdrfstring is not allowed here (it is in the c version)
- |
- | xdrf3dfcoord(xdrid, fp, size, precision, ret)
- | real (*) fp
- | real precision
- | integer size
- |
- | this is *NOT* a standard xdr routine. I named it this way, because
- | it invites people to use the other xdr routines.
- | It is introduced to store specifically 3d coordinates of molecules
- | (as found in molecular dynamics) and it writes it in a compressed way.
- | It starts by multiplying all numbers by precision and
- | rounding the result to integer. effectively converting
- | all floating point numbers to fixed point.
- | it uses an algorithm for compression that is optimized for
- | molecular data, but could be used for other 3d coordinates
- | as well. There is subtantial overhead involved, so call this
- | routine only if you have a large number of coordinates to read/write
- |
- | ONCE AGAIN: Note that from version 1.1.1, the fortran interface
- | routines are only built when you are using fortran with gromacs.
- |
- | ________________________________________________________________________
- |
- | Below are the rotuiens to be used by C programmers. Use the 'normal'
- | xdr routines to write integers, floats, etc (see man xdr)
- |
- | int xdropen(XDR *xdrs, const char *filename, const char *type)
- | This will open the file with the given filename and the
- | given mode. You should pass it an allocated XDR struct
- | in xdrs, to be used in all other calls to xdr routines.
- | Mode is 'w' to create, or update an file, and for all
- | other values of mode the file is opened for reading.
- | You need to call xdrclose to flush the output and close
- | the file.
- |
- | Note that you should not use xdrstdio_create, which
- | comes with the standard xdr library.
- |
- | int xdrclose(XDR *xdrs)
- | Flush the data to the file, and close the file;
- | You should not use xdr_destroy (which comes standard
- | with the xdr libraries).
- |
- | int xdr3dfcoord(XDR *xdrs, float *fp, int *size, float *precision)
- | This is \fInot\fR a standard xdr routine. I named it this
- | way, because it invites people to use the other xdr
- | routines.
- |
- | frans van hoesel hoesel@chem.rug.nl
-*/
-
+/*
+ * $Id$
+ *
+ * This source code is part of
+ *
+ * G R O M A C S
+ *
+ * GROningen MAchine for Chemical Simulations
+ *
+ * VERSION 3.0
+ *
+ * Copyright (c) 1991-2001
+ * BIOSON Research Institute, Dept. of Biophysical Chemistry
+ * University of Groningen, The Netherlands
+ *
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
+ *
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+ *
+ * And Hey:
+ * Gromacs Runs On Most of All Computer Systems
+ */
+static char *SRCID_libxdrf_c = "$Id$";
#include <limits.h>
#include <malloc.h>
#include <math.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_macros_c = "$Id$";
-
#include "macros.h"
real ZERO = 0.0;
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_main_c = "$Id$";
-
#include <stdio.h>
#include <stdlib.h>
#include <string.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_maths_c = "$Id$";
-
#include <math.h>
#include "maths.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_matio_c = "$Id$";
-
#include <ctype.h>
#include "sysstuff.h"
#include "futil.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_memdump_c = "$Id$";
-
#include <stdio.h>
#include "memdump.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_memtab_c = "$Id$";
-
#include <stdio.h>
#include <string.h>
#include "sysstuff.h"
-#include <stdio.h>
+/*
+ * $Id$
+ *
+ * This source code is part of
+ *
+ * G R O M A C S
+ *
+ * GROningen MAchine for Chemical Simulations
+ *
+ * VERSION 3.0
+ *
+ * Copyright (c) 1991-2001
+ * BIOSON Research Institute, Dept. of Biophysical Chemistry
+ * University of Groningen, The Netherlands
+ *
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
+ *
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+ *
+ * And Hey:
+ * Great Red Owns Many ACres of Sand
+ */
+static char *SRCID_metacode_c = "$Id$";
#include <stdlib.h>
#include <string.h>
#include <metacode.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Great Red Owns Many ACres of Sand
*/
static char *SRCID_mgmx_c = "$Id$";
-
#include <string.h>
#include <ctype.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Great Red Owns Many ACres of Sand
*/
static char *SRCID_mgmxtest_c = "$Id$";
-
#include "copyrite.h"
#include "statutil.h"
#include "macros.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Great Red Owns Many ACres of Sand
*/
static char *SRCID_minvert_c = "$Id$";
-
#include "minvert.h"
#include "nr.h"
#include "smalloc.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Great Red Owns Many ACres of Sand
*/
#ifndef _minvert_h
#define _minvert_h
static char *SRCID_minvert_h = "$Id$";
-
#include "typedefs.h"
/* A bunch of routines that works on matrices that run from 1 thru n
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Great Red Owns Many ACres of Sand
*/
static char *SRCID_mkinl_c = "$Id$";
-
#include <string.h>
#include "mkinl.h"
#include <types/simple.h>
+/*
+ * $Id$
+ *
+ * This source code is part of
+ *
+ * G R O M A C S
+ *
+ * GROningen MAchine for Chemical Simulations
+ *
+ * VERSION 3.0
+ *
+ * Copyright (c) 1991-2001
+ * BIOSON Research Institute, Dept. of Biophysical Chemistry
+ * University of Groningen, The Netherlands
+ *
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
+ *
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+ *
+ * And Hey:
+ * S C A M O R G
+ */
+
#ifndef _mkinl_h
#define _mkinl_h
-static char *SRCID_mkinl_h = "";
+static char *SRCID_mkinl_h = "$Id$";
#include <config.h>
#include <types/simple.h>
#include <metacode.h>
-static char *SRCID_mkinl_calcdist_c = "";
+/*
+ * $Id$
+ *
+ * This source code is part of
+ *
+ * G R O M A C S
+ *
+ * GROningen MAchine for Chemical Simulations
+ *
+ * VERSION 3.0
+ *
+ * Copyright (c) 1991-2001
+ * BIOSON Research Institute, Dept. of Biophysical Chemistry
+ * University of Groningen, The Netherlands
+ *
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
+ *
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+ *
+ * And Hey:
+ * S C A M O R G
+ */
+static char *SRCID_mkinl_calcdist_c = "$Id$";
#include "mkinl.h"
#include <string.h>
-static char *SRCID_mkinl_declarations_c = "";
-
+/*
+ * $Id$
+ *
+ * This source code is part of
+ *
+ * G R O M A C S
+ *
+ * GROningen MAchine for Chemical Simulations
+ *
+ * VERSION 3.0
+ *
+ * Copyright (c) 1991-2001
+ * BIOSON Research Institute, Dept. of Biophysical Chemistry
+ * University of Groningen, The Netherlands
+ *
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
+ *
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+ *
+ * And Hey:
+ * S C A M O R G
+ */
+static char *SRCID_mkinl_declarations_c = "$Id$";
#include "mkinl.h"
#include <string.h>
#include <mkinl_fortrandata.h>
-
-static char finvsqrtdata[]={
+/*
+ * $Id$
+ *
+ * This source code is part of
+ *
+ * G R O M A C S
+ *
+ * GROningen MAchine for Chemical Simulations
+ *
+ * VERSION 3.0
+ *
+ * Copyright (c) 1991-2001
+ * BIOSON Research Institute, Dept. of Biophysical Chemistry
+ * University of Groningen, The Netherlands
+ *
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
+ *
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+ *
+ * And Hey:
+ * S C A M O R G
+ */
+static char *SRCID_mkinl_fortrandata_h = "$Id$";
" DATA (finvsqrtexptab(I), I= 1, 64) /\n"
" $ X'5f000000', X'5e800000', X'5e800000', X'5e000000',\n"
" $ X'5e000000', X'5d800000', X'5d800000', X'5d000000',\n"
-static char *SRCID_mkinl_innerloop_c = "";
-
+/*
+ * $Id$
+ *
+ * This source code is part of
+ *
+ * G R O M A C S
+ *
+ * GROningen MAchine for Chemical Simulations
+ *
+ * VERSION 3.0
+ *
+ * Copyright (c) 1991-2001
+ * BIOSON Research Institute, Dept. of Biophysical Chemistry
+ * University of Groningen, The Netherlands
+ *
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
+ *
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+ *
+ * And Hey:
+ * S C A M O R G
+ */
+static char *SRCID_mkinl_innerloop_c = "$Id$";
#include "mkinl.h"
void unpack_inner_data(bool calcdist,bool calcforce)
-static char *SRCID_mkinl_interactions_c = "";
+/*
+ * $Id$
+ *
+ * This source code is part of
+ *
+ * G R O M A C S
+ *
+ * GROningen MAchine for Chemical Simulations
+ *
+ * VERSION 3.0
+ *
+ * Copyright (c) 1991-2001
+ * BIOSON Research Institute, Dept. of Biophysical Chemistry
+ * University of Groningen, The Netherlands
+ *
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
+ *
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+ *
+ * And Hey:
+ * Go Rough, Oppose Many Angry Chinese Serial killers
+ */
+static char *SRCID_mkinl_interactions_c = "$Id$";
#include "mkinl.h"
#include <string.h>
-static char *SRCID_mkinl_invsqrt_c = "";
+/*
+ * $Id$
+ *
+ * This source code is part of
+ *
+ * G R O M A C S
+ *
+ * GROningen MAchine for Chemical Simulations
+ *
+ * VERSION 3.0
+ *
+ * Copyright (c) 1991-2001
+ * BIOSON Research Institute, Dept. of Biophysical Chemistry
+ * University of Groningen, The Netherlands
+ *
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
+ *
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+ *
+ * And Hey:
+ * GRowing Old MAkes el Chrono Sweat
+ */
+static char *SRCID_mkinl_invsqrt_c = "$Id$";
#include "mkinl.h"
#include <string.h>
-static char *SRCID_mkinl_outerloop_c = "";
-
+/*
+ * $Id$
+ *
+ * This source code is part of
+ *
+ * G R O M A C S
+ *
+ * GROningen MAchine for Chemical Simulations
+ *
+ * VERSION 3.0
+ *
+ * Copyright (c) 1991-2001
+ * BIOSON Research Institute, Dept. of Biophysical Chemistry
+ * University of Groningen, The Netherlands
+ *
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
+ *
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+ *
+ * And Hey:
+ * GRowing Old MAkes el Chrono Sweat
+ */
+static char *SRCID_mkinl_outerloop_c = "$Id$";
#include <string.h>
#include "mkinl.h"
-static char *SRCID_mkinl_recip_c = "";
+/*
+ * $Id$
+ *
+ * This source code is part of
+ *
+ * G R O M A C S
+ *
+ * GROningen MAchine for Chemical Simulations
+ *
+ * VERSION 3.0
+ *
+ * Copyright (c) 1991-2001
+ * BIOSON Research Institute, Dept. of Biophysical Chemistry
+ * University of Groningen, The Netherlands
+ *
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
+ *
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+ *
+ * And Hey:
+ * GRowing Old MAkes el Chrono Sweat
+ */
+static char *SRCID_mkinl_recip_c = "$Id$";
#include "mkinl.h"
#include <string.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * GRowing Old MAkes el Chrono Sweat
*/
static char *SRCID_mpiio_c = "$Id$";
-
#include <string.h>
#include "mpiio.h"
#include "fatal.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Good ROcking Metal Altar for Chronical Sinners
*/
static char *SRCID_mshift_c = "$Id$";
-
#include <string.h>
#include "assert.h"
#include "smalloc.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Good ROcking Metal Altar for Chronical Sinners
*/
static char *SRCID_mvdata_c = "$Id$";
-
#include <sysstuff.h>
#include <string.h>
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Good ROcking Metal Altar for Chronical Sinners
*/
static char *SRCID_mvxvf_c = "$Id$";
-
#include <sysstuff.h>
#include <string.h>
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Good ROcking Metal Altar for Chronical Sinners
*/
static char *SRCID_names_c = "$Id$";
-
#include "typedefs.h"
#include "names.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Gromacs Runs On Most of All Computer Systems
*/
static char *SRCID_network_c = "$Id$";
-
#include "typedefs.h"
#include "smalloc.h"
#include "network.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Gromacs Runs On Most of All Computer Systems
*/
static char *SRCID_nrama_c = "$Id$";
-
#include <math.h>
#include "assert.h"
#include "sysstuff.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Gromacs Runs On Most of All Computer Systems
*/
static char *SRCID_nrjac_c = "$Id$";
-
#include <stdio.h>
#include <stdlib.h>
#include <math.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Gromacs Runs On Most of All Computer Systems
*/
static char *SRCID_nrnb_c = "$Id$";
-
#include <string.h>
#include "sysstuff.h"
#include "fatal.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_pargs_c = "$Id$";
-
#include <stdio.h>
#include <string.h>
#include <ctype.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_pbc_c = "$Id$";
-
#include <math.h>
#include "sysstuff.h"
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_pdbio_c = "$Id$";
-
#include "sysstuff.h"
#include "string2.h"
#include "vec.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_princ_c = "$Id$";
-
#include "typedefs.h"
#include "vec.h"
#include "smalloc.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_rando_c = "$Id$";
-
#include <time.h>
#include <unistd.h>
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_random_c = "$Id$";
-
#include <math.h>
#include "sysstuff.h"
#include "smalloc.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_rbin_c = "$Id$";
-
#include "typedefs.h"
#include "main.h"
#include "network.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Great Red Owns Many ACres of Sand
*/
static char *SRCID_rdgroup_c = "$Id$";
-
#include "sysstuff.h"
#include "smalloc.h"
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Great Red Owns Many ACres of Sand
*/
static char *SRCID_readinp_c = "$Id$";
-
#include <stdio.h>
#include <stdlib.h>
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Great Red Owns Many ACres of Sand
*/
static char *SRCID_repfirst_c = "$Id$";
-
#include "string2.h"
#include "typedefs.h"
#include "smalloc.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Great Red Owns Many ACres of Sand
*/
static char *SRCID_replace_c = "$Id$";
-
#include <ctype.h>
#include "string2.h"
#include "smalloc.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Great Red Owns Many ACres of Sand
*/
#ifndef _replace_h
#define _replace_h
static char *SRCID_replace_h = "$Id$";
-
#ifdef HAVE_IDENT
#ident "@(#) replace.h 1.16 10/14/97"
#endif /* HAVE_IDENT */
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Great Red Owns Many ACres of Sand
*/
static char *SRCID_rmpbc_c = "$Id$";
-
#include "sysstuff.h"
#include "typedefs.h"
#include "smalloc.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * S C A M O R G
*/
static char *SRCID_sfac_c = "$Id$";
-
#include <stdlib.h>
#include <math.h>
#include "assert.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * S C A M O R G
*/
static char *SRCID_sheader_c = "$Id$";
-
#include <string.h>
#include "sheader.h"
#include "txtdump.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * S C A M O R G
*/
static char *SRCID_shift_util_c = "$Id$";
-
#include <stdio.h>
#include <math.h>
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * S C A M O R G
*/
static char *SRCID_smalloc_c = "$Id$";
-
#include <stdio.h>
#include <stdlib.h>
#include <string.h>
-#include <stdlib.h>
+/*
+ * $Id$
+ *
+ * This source code is part of
+ *
+ * G R O M A C S
+ *
+ * GROningen MAchine for Chemical Simulations
+ *
+ * VERSION 3.0
+ *
+ * Copyright (c) 1991-2001
+ * BIOSON Research Institute, Dept. of Biophysical Chemistry
+ * University of Groningen, The Netherlands
+ *
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
+ *
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+ *
+ * And Hey:
+ * S C A M O R G
+ */
+static char *SRCID_sortwater_c = "$Id$";
#include "typedefs.h"
#include "random.h"
#include "smalloc.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Go Rough, Oppose Many Angry Chinese Serial killers
*/
static char *SRCID_stat_c = "$Id$";
-
#include <string.h>
#include <stdio.h>
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * GRowing Old MAkes el Chrono Sweat
*/
static char *SRCID_statutil_c = "$Id$";
-
#include <ctype.h>
#include "sysstuff.h"
#include "macros.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * GRowing Old MAkes el Chrono Sweat
*/
static char *SRCID_strdb_c = "$Id$";
-
#include <stdio.h>
#include <stdlib.h>
#include "string2.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * GRowing Old MAkes el Chrono Sweat
*/
static char *SRCID_string2_c = "$Id$";
-
#include <stdio.h>
#include <ctype.h>
#include <stdlib.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * GRowing Old MAkes el Chrono Sweat
*/
static char *SRCID_symtab_c = "$Id$";
-
#include <stdio.h>
#include <string.h>
#include "sysstuff.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Good ROcking Metal Altar for Chronical Sinners
*/
static char *SRCID_synclib_c = "$Id$";
-
#include "tags.h"
#include "synclib.h"
#include "comlib.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Good ROcking Metal Altar for Chronical Sinners
*/
static char *SRCID_testfft_c = "$Id$";
-
#include <math.h>
#include <stdio.h>
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Good ROcking Metal Altar for Chronical Sinners
*/
static char *SRCID_testlr_c = "$Id$";
-
#include <math.h>
#include <string.h>
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Good ROcking Metal Altar for Chronical Sinners
*/
static char *SRCID_testtab_c = "$Id$";
-
#include <stdio.h>
#include "typedefs.h"
#include "force.h"
-#include <pthread.h>
-
+/*
+ * $Id$
+ *
+ * This source code is part of
+ *
+ * G R O M A C S
+ *
+ * GROningen MAchine for Chemical Simulations
+ *
+ * VERSION 3.0
+ *
+ * Copyright (c) 1991-2001
+ * BIOSON Research Institute, Dept. of Biophysical Chemistry
+ * University of Groningen, The Netherlands
+ *
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
+ *
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+ *
+ * And Hey:
+ * Gromacs Runs On Most of All Computer Systems
+ */
+static char *SRCID_threadsync_c = "$Id$";
/* Since most fortran compilers dont support threads started
* in a calling c program we call these wrapper syncronization
* routines from the fortran innerloops
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Gromacs Runs On Most of All Computer Systems
*/
static char *SRCID_tpxio_c = "$Id$";
-
#include <ctype.h>
#include "sysstuff.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Gromacs Runs On Most of All Computer Systems
*/
static char *SRCID_trnio_c = "$Id$";
-
#include <string.h>
#include "sysstuff.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Gromacs Runs On Most of All Computer Systems
*/
static char *SRCID_trxio_c = "$Id$";
-
#include <ctype.h>
#include "sysstuff.h"
#include "string2.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_tstsqrtc_c = "$Id$";
-
#include "vec.h"
int main(int argc,char *argv[])
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_txtdump_c = "$Id$";
-
#include <stdio.h>
#include "smalloc.h"
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_typedefs_c = "$Id$";
-
#include "smalloc.h"
#include "assert.h"
#include "symtab.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_viewit_c = "$Id$";
-
#include <string.h>
#include "statutil.h"
#include "viewit.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_wgms_c = "$Id$";
-
#include <stdio.h>
#include "gstat.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_widget_c = "$Id$";
-
#include "widget.h"
#include "smalloc.h"
#include "fatal.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Great Red Owns Many ACres of Sand
*/
#ifndef _widget_h
#define _widget_h
static char *SRCID_widget_h = "$Id$";
-
#include "typedefs.h"
#include <Xm/Xm.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Great Red Owns Many ACres of Sand
*/
static char *SRCID_wman_c = "$Id$";
-
#include "string2.h"
#include "smalloc.h"
#include "sysstuff.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Great Red Owns Many ACres of Sand
*/
static char *SRCID_writeps_c = "$Id$";
-
#include <stdio.h>
#include "futil.h"
#include "fatal.h"
-
+;;
+;; This source code is part of
+;;
+;; G R O M A C S
+;;
+;; GROningen MAchine for Chemical Simulations
+;;
+;; VERSION 3.0
+;;
+;; Copyright (c) 1991-2001
+;; BIOSON Research Institute, Dept. of Biophysical Chemistry
+;; University of Groningen, The Netherlands
+;;
+;; This program is free software; you can redistribute it and/or
+;; modify it under the terms of the GNU General Public License
+;; as published by the Free Software Foundation; either version 2
+;; of the License, or (at your option) any later version.
+;;
+;; If you want to redistribute modifications, please consider that
+;; scientific software is very special. Version control is crucial -
+;; bugs must be traceable. We will be happy to consider code for
+;; inclusion in the official distribution, but derived work must not
+;; be called official GROMACS. Details are found in the README & COPYING
+;; files - if they are missing, get the official version at www.gromacs.org.
+;;
+;; To help us fund GROMACS development, we humbly ask that you cite
+;; the papers on the package - you can find them in the top README file.
+;;
+;; Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+;;
+;; And Hey:
+;; GROup of MAchos and Cynical Suckers
+
; NASM macro set to make interfacing to 32-bit programs easier -*- nasm -*-
%imacro proc 1 ; begin a procedure definition
-#ifdef HAVE_CONFIG_H
+/*
+ * $Id$
+ *
+ * This source code is part of
+ *
+ * G R O M A C S
+ *
+ * GROningen MAchine for Chemical Simulations
+ *
+ * VERSION 3.0
+ *
+ * Copyright (c) 1991-2001
+ * BIOSON Research Institute, Dept. of Biophysical Chemistry
+ * University of Groningen, The Netherlands
+ *
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
+ *
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+ *
+ * And Hey:
+ * Great Red Owns Many ACres of Sand
+ */
+static char *SRCID_x86_cpu_c = "$Id$";
#include <config.h>
#endif
- ;; this file must be processed with a version
- ;; of nasm that supports the extended 3dnow instructions.
- ;; you can find a binary of such a version on the
- ;; gromacs homepage.
+;;
+;; This source code is part of
+;;
+;; G R O M A C S
+;;
+;; GROningen MAchine for Chemical Simulations
+;;
+;; VERSION 3.0
+;;
+;; Copyright (c) 1991-2001
+;; BIOSON Research Institute, Dept. of Biophysical Chemistry
+;; University of Groningen, The Netherlands
+;;
+;; This program is free software; you can redistribute it and/or
+;; modify it under the terms of the GNU General Public License
+;; as published by the Free Software Foundation; either version 2
+;; of the License, or (at your option) any later version.
+;;
+;; If you want to redistribute modifications, please consider that
+;; scientific software is very special. Version control is crucial -
+;; bugs must be traceable. We will be happy to consider code for
+;; inclusion in the official distribution, but derived work must not
+;; be called official GROMACS. Details are found in the README & COPYING
+;; files - if they are missing, get the official version at www.gromacs.org.
+;;
+;; To help us fund GROMACS development, we humbly ask that you cite
+;; the papers on the package - you can find them in the top README file.
+;;
+;; Do check out http: //www.gromacs.org , or mail us at gromacs@gromacs.org .
+;;
+;; And Hey:
+;; GROup of MAchos and Cynical Suckers
+
+;; this file must be processed with a version
+;; of nasm that supports the extended 3dnow instructions.
+;; you can find a binary of such a version on the
+;; gromacs homepage.
+
segment .text
- global x86_cpuid ; issues the cpuid instruction with supplied args
+global x86_cpuid ; issues the cpuid instruction with supplied args
x86_cpuid:
push ebp
mov ebp,esp
+;;
+;; This source code is part of
+;;
+;; G R O M A C S
+;;
+;; GROningen MAchine for Chemical Simulations
+;;
+;; VERSION 3.0
+;;
+;; Copyright (c) 1991-2001
+;; BIOSON Research Institute, Dept. of Biophysical Chemistry
+;; University of Groningen, The Netherlands
+;;
+;; This program is free software; you can redistribute it and/or
+;; modify it under the terms of the GNU General Public License
+;; as published by the Free Software Foundation; either version 2
+;; of the License, or (at your option) any later version.
+;;
+;; If you want to redistribute modifications, please consider that
+;; scientific software is very special. Version control is crucial -
+;; bugs must be traceable. We will be happy to consider code for
+;; inclusion in the official distribution, but derived work must not
+;; be called official GROMACS. Details are found in the README & COPYING
+,; files - if they are missing, get the official version at www.gromacs.org.
+;;
+;; To help us fund GROMACS development, we humbly ask that you cite
+;; the papers on the package - you can find them in the top README file.
+;;
+;; Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+;;
+;; And Hey:
+;; GROup of MAchos and Cynical Suckers
; NASM macro set to make interfacing to 32-bit programs easier -*- nasm -*-
%imacro proc 1 ; begin a procedure definition
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * S C A M O R G
*/
static char *SRCID_xdrd_c = "$Id$";
-
#include "typedefs.h"
#include "xdrf.h"
#include "fatal.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * S C A M O R G
*/
static char *SRCID_xtcio_c = "$Id$";
-
#include <string.h>
#include "typedefs.h"
#include "xdrf.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * S C A M O R G
*/
static char *SRCID_xvgr_c = "$Id$";
-
#include <string.h>
#include <ctype.h>
#include "sysstuff.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROningen MAchine for Chemical Simulation
*/
static char *SRCID_add_par_c = "$Id$";
-
#include <string.h>
#include "typedefs.h"
#include "smalloc.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROningen MAchine for Chemical Simulation
*/
#ifndef _add_par_h
#define _add_par_h
static char *SRCID_add_par_h = "$Id$";
-
#include "typedefs.h"
#include "pdb2top.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROningen MAchine for Chemical Simulation
*/
static char *SRCID_convparm_c = "$Id$";
-
#include <math.h>
#include "sysstuff.h"
#include "physics.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROningen MAchine for Chemical Simulation
*/
#ifndef _convparm_h
#define _convparm_h
static char *SRCID_convparm_h = "$Id$";
-
#ifdef HAVE_IDENT
#ident "@(#) convparm.h 1.2 12/16/92"
#endif /* HAVE_IDENT */
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Giant Rising Ordinary Mutants for A Clerical Setup
*/
static char *SRCID_dum_parm_c = "$Id$";
-
#include <stdio.h>
#include <math.h>
#include <string.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Giant Rising Ordinary Mutants for A Clerical Setup
*/
#ifndef _dum_parm_h
#define _dum_parm_h
static char *SRCID_dum_parm_h = "$Id$";
-
#include "typedefs.h"
#include "grompp.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Giant Rising Ordinary Mutants for A Clerical Setup
*/
static char *SRCID_gen_ad_c = "$Id$";
-
#include <math.h>
#include <ctype.h>
#include "sysstuff.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Giant Rising Ordinary Mutants for A Clerical Setup
*/
#ifndef _gen_ad_h
#define _gen_ad_h
static char *SRCID_gen_ad_h = "$Id$";
-
#ifdef HAVE_IDENT
#ident "@(#) gen_ad.h 1.17 9/30/97"
#endif /* HAVE_IDENT */
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Giant Rising Ordinary Mutants for A Clerical Setup
*/
static char *SRCID_gen_dum_c = "$Id$";
-
#include <stdio.h>
#include <math.h>
#include <string.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gravel Rubs Often Many Awfully Cauterized Sores
*/
#ifndef _gen_dum_h
#define _gen_dum_h
static char *SRCID_gen_dum_h = "$Id$";
-
#include "typedefs.h"
#include "grompp.h"
#include "hackblock.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * GROningen MAchine for Chemical Simulation
*/
static char *SRCID_genhydro_c = "$Id$";
-
#include <time.h>
#include <ctype.h>
#include "assert.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Good ROcking Metal Altar for Chronical Sinners
+ * GROningen MAchine for Chemical Simulation
*/
#ifndef _genhydro_h
#define _genhydro_h
static char *SRCID_genhydro_h = "$Id$";
-
#include "pdbio.h"
#include "hackblock.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROningen MAchine for Chemical Simulation
*/
static char *SRCID_gmxcheck_c = "$Id$";
-
#include <stdio.h>
#include <string.h>
#include <ctype.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROningen MAchine for Chemical Simulation
*/
static char *SRCID_gmxdump_c = "$Id$";
-
#include <stdio.h>
#include <string.h>
#include <math.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROningen MAchine for Chemical Simulation
*/
static char *SRCID_grompp_c = "$Id$";
-
#include <sys/types.h>
#include <math.h>
#include <string.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * GROningen MAchine for Chemical Simulation
*/
static char *SRCID_h_db_c = "$Id$";
-
#include <string.h>
#include "string2.h"
#include "sysstuff.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Good ROcking Metal Altar for Chronical Sinners
+ * Giant Rising Ordinary Mutants for A Clerical Setup
*/
#ifndef _h_db_h
#define _h_db_h
static char *SRCID_h_db_h = "$Id$";
-
#ifdef HAVE_IDENT
#ident "@(#) h_db.h 1.10 2/2/97"
#endif /* HAVE_IDENT */
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Giant Rising Ordinary Mutants for A Clerical Setup
*/
static char *SRCID_hackblock_c = "$Id$";
-
#include <string.h>
#include "hackblock.h"
#include "smalloc.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Good ROcking Metal Altar for Chronical Sinners
+ * Giant Rising Ordinary Mutants for A Clerical Setup
*/
#ifndef _hackblock_h
#define _hackblock_h
static char *SRCID_hackblock_h = "$Id$";
-
#include "typedefs.h"
#include "pdbio.h"
#include "grompp.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Giant Rising Ordinary Mutants for A Clerical Setup
*/
static char *SRCID_hizzie_c = "$Id$";
-
#include <stdio.h>
#include <string.h>
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Giant Rising Ordinary Mutants for A Clerical Setup
*/
#ifndef _hizzie_h
#define _hizzie_h
static char *SRCID_hizzie_h = "$Id$";
-
extern void set_histp(t_atoms *pdba,rvec *x,real angle,real distance);
/* calculate HIStidine protonation state */
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gravel Rubs Often Many Awfully Cauterized Sores
*/
static char *SRCID_luck_c = "$Id$";
-
#include <stdio.h>
#include "copyrite.h"
#include "string.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROningen MAchine for Chemical Simulation
*/
static char *SRCID_mdrun_c = "$Id$";
-
#include "typedefs.h"
#include "macros.h"
#include "copyrite.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROningen MAchine for Chemical Simulation
*/
static char *SRCID_mk_ghat_c = "$Id$";
-
#include <math.h>
#include <stdio.h>
#include "copyrite.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROningen MAchine for Chemical Simulation
*/
static char *SRCID_nm2type_c = "$Id$";
-
#include "maths.h"
#include "macros.h"
#include "copyrite.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROningen MAchine for Chemical Simulation
*/
static char *SRCID_nmrun_c = "$Id$";
-
#include "typedefs.h"
#include "macros.h"
#include "copyrite.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROningen MAchine for Chemical Simulation
*/
static char *SRCID_opls2rtp_c = "$Id$";
-
/**********************************************************************
* Program: opls2rtp.c *
* Usage: opls2rtp *
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROningen MAchine for Chemical Simulation
*/
+
static char *SRCID_pdb2gmx_c = "$Id$";
+
#include <time.h>
#include <ctype.h>
#include "assert.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Giant Rising Ordinary Mutants for A Clerical Setup
*/
static char *SRCID_pdb2top_c = "$Id$";
-
#include <stdio.h>
#include <math.h>
#include "vec.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Giant Rising Ordinary Mutants for A Clerical Setup
*/
#ifndef _pdb2top_h
#define _pdb2top_h
static char *SRCID_pdb2top_h = "$Id$";
-
#ifdef HAVE_IDENT
#ident "@(#) pdb2top.h 1.19 2/2/97"
#endif /* HAVE_IDENT */
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Giant Rising Ordinary Mutants for A Clerical Setup
*/
static char *SRCID_pgutil_c = "$Id$";
-
#include "pgutil.h"
#include "string.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Giant Rising Ordinary Mutants for A Clerical Setup
*/
#ifndef _pgutil_h
#define _pgutil_h
static char *SRCID_pgutil_h = "$Id$";
-
#ifdef HAVE_IDENT
#ident "@(#) pgutil.h 1.14 9/30/97"
#endif /* HAVE_IDENT */
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * Giant Rising Ordinary Mutants for A Clerical Setup
*/
static char *SRCID_protonate_c = "$Id$";
-
#include <math.h>
#include "typedefs.h"
#include "macros.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gravel Rubs Often Many Awfully Cauterized Sores
*/
static char *SRCID_readir_c = "$Id$";
-
#include <ctype.h>
#include <stdlib.h>
#include "sysstuff.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROningen MAchine for Chemical Simulation
*/
#ifndef _readir_h
#define _readir_h
static char *SRCID_readir_h = "$Id$";
-
#ifdef HAVE_IDENT
#ident "@(#) readir.h 1.20 9/30/97"
#endif /* HAVE_IDENT */
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROningen MAchine for Chemical Simulation
*/
static char *SRCID_resall_c = "$Id$";
-
#include "sysstuff.h"
#include "assert.h"
#include "string2.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROningen MAchine for Chemical Simulation
*/
#ifndef _resall_h
#define _resall_h
static char *SRCID_resall_h = "$Id$";
-
#ifdef HAVE_IDENT
#ident "@(#) resall.h 1.16 9/30/97"
#endif /* HAVE_IDENT */
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROningen MAchine for Chemical Simulation
*/
static char *SRCID_sorting_c = "$Id$";
-
#include <limits.h>
#include "sysstuff.h"
#include "smalloc.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROningen MAchine for Chemical Simulation
*/
#ifndef _sorting_h
#define _sorting_h
static char *SRCID_sorting_h = "$Id$";
-
#ifdef HAVE_IDENT
#ident "@(#) sorting.h 1.21 9/30/97"
#endif /* HAVE_IDENT */
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Giant Rising Ordinary Mutants for A Clerical Setup
*/
static char *SRCID_specbond_c = "$Id$";
-
#include <ctype.h>
#include <math.h>
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Giant Rising Ordinary Mutants for A Clerical Setup
*/
#ifndef _specbond_h
#define _specbond_h
static char *SRCID_specbond_h = "$Id$";
-
#include "pdb2top.h"
extern int mk_specbonds(t_atoms *pdba,rvec x[],bool bInteractive,
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Giant Rising Ordinary Mutants for A Clerical Setup
*/
static char *SRCID_splitter_c = "$Id$";
-
#include <stdio.h>
#include "sysstuff.h"
#include "assert.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Giant Rising Ordinary Mutants for A Clerical Setup
*/
static char *SRCID_splitter_h = "$Id$";
-
extern void split_top(bool bVerbose,int nnodes,t_topology *top,real *capacity);
/* Split the topology (blocks and forces, based on charge groups
* and shake blocks.
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Giant Rising Ordinary Mutants for A Clerical Setup
*/
static char *SRCID_ter_db_c = "$Id$";
-
#include "sysstuff.h"
#include "smalloc.h"
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Giant Rising Ordinary Mutants for A Clerical Setup
*/
#ifndef _ter_db_h
#define _ter_db_h
static char *SRCID_ter_db_h = "$Id$";
-
#ifdef HAVE_IDENT
#ident "@(#) ter_db.h 1.16 9/30/97"
#endif /* HAVE_IDENT */
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gravel Rubs Often Many Awfully Cauterized Sores
*/
static char *SRCID_tomorse_c = "$Id$";
-
#include <stdlib.h>
#include <math.h>
#include <ctype.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROningen MAchine for Chemical Simulation
*/
static char *SRCID_topcat_c = "$Id$";
-
#include <math.h>
#include "sysstuff.h"
#include "smalloc.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROningen MAchine for Chemical Simulation
*/
#ifndef _topcat_h
#define _topcat_h
static char *SRCID_topcat_h = "$Id$";
-
#ifdef HAVE_IDENT
#ident "@(#) topcat.h 1.23 9/30/97"
#endif /* HAVE_IDENT */
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROningen MAchine for Chemical Simulation
*/
#ifndef _topdef_h
#define _topdef_h
static char *SRCID_topdef_h = "$Id$";
-
#ifdef HAVE_IDENT
#ident "@(#) topdef.h 1.9 11/23/92"
#endif /* HAVE_IDENT */
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROningen MAchine for Chemical Simulation
*/
static char *SRCID_topdirs_c = "$Id$";
-
#include <stdio.h>
#include <stdarg.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROningen MAchine for Chemical Simulation
*/
#ifndef _topdirs_h
#define _topdirs_h
static char *SRCID_topdirs_h = "$Id$";
-
#ifdef HAVE_IDENT
#ident "@(#) topdirs.h 1.30 9/30/97"
#endif /* HAVE_IDENT */
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Giant Rising Ordinary Mutants for A Clerical Setup
*/
static char *SRCID_topexcl_c = "$Id$";
-
#ifdef HAVE_IDENT
#ident "@(#) topexcl.c 1.38 2/2/97"
#endif
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Giant Rising Ordinary Mutants for A Clerical Setup
*/
#ifndef _topexcl_h
#define _topexcl_h
static char *SRCID_topexcl_h = "$Id$";
-
#ifdef HAVE_IDENT
#ident "@(#) topexcl.h 1.11 11/23/92"
#endif /* HAVE_IDENT */
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Giant Rising Ordinary Mutants for A Clerical Setup
*/
static char *SRCID_topio_c = "$Id$";
-
#ifdef HAVE_IDENT
#ident "@(#) topio.c 1.87 9/30/97"
#endif
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Giant Rising Ordinary Mutants for A Clerical Setup
*/
#ifndef _topio_h
#define _topio_h
static char *SRCID_topio_h = "$Id$";
-
#ifdef HAVE_IDENT
#ident "@(#) topio.h 1.46 9/30/97"
#endif /* HAVE_IDENT */
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Giant Rising Ordinary Mutants for A Clerical Setup
*/
static char *SRCID_toppush_c = "$Id$";
-
#ifdef HAVE_IDENT
#ident "@(#) toppush.c 1.72 9/30/97"
#endif
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Giant Rising Ordinary Mutants for A Clerical Setup
*/
#ifndef _toppush_h
#define _toppush_h
static char *SRCID_toppush_h = "$Id$";
-
#ifdef HAVE_IDENT
#ident "@(#) toppush.h 1.31 9/30/97"
#endif /* HAVE_IDENT */
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROningen MAchine for Chemical Simulation
*/
static char *SRCID_topshake_c = "$Id$";
-
#include <ctype.h>
#include "sysstuff.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROningen MAchine for Chemical Simulation
*/
#ifndef _topshake_h
#define _topshake_h
static char *SRCID_topshake_h = "$Id$";
-
#ifdef HAVE_IDENT
#ident "@(#) topshake.h 1.19 9/30/97"
#endif /* HAVE_IDENT */
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROningen MAchine for Chemical Simulation
*/
static char *SRCID_toputil_c = "$Id$";
-
#ifdef HAVE_IDENT
#ident "@(#) toputil.c 1.68 9/30/97"
#endif
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROningen MAchine for Chemical Simulation
*/
#ifndef _toputil_h
#define _toputil_h
static char *SRCID_toputil_h = "$Id$";
-
#ifdef HAVE_IDENT
#ident "@(#) toputil.h 1.25 19 Nov 1995"
#endif /* HAVE_IDENT */
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROningen MAchine for Chemical Simulation
*/
static char *SRCID_tpbcmp_c = "$Id$";
-
#include <math.h>
#include <stdio.h>
#include <string.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROningen MAchine for Chemical Simulation
*/
#ifndef _tpbcmp_h
#define _tpbcmp_h
static char *SRCID_tpbcmp_h = "$Id$";
-
extern void comp_tpx(char *fn1,char *fn2,real ftol);
/* Compare two binary topology files */
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Giant Rising Ordinary Mutants for A Clerical Setup
*/
static char *SRCID_tpbconv_c = "$Id$";
-
#include <math.h>
#include "rdgroup.h"
#include "fatal.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Giant Rising Ordinary Mutants for A Clerical Setup
*/
static char *SRCID_x2top_c = "$Id$";
-
#include "maths.h"
#include "macros.h"
#include "copyrite.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Giant Rising Ordinary Mutants for A Clerical Setup
*/
#ifndef _x2top_h
#define _x2top_h
static char *SRCID_x2top_h = "$Id$";
-
#include <stdio.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Giant Rising Ordinary Mutants for A Clerical Setup
*/
static char *SRCID_xlate_c = "$Id$";
-
#include <ctype.h>
#include <string.h>
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Giant Rising Ordinary Mutants for A Clerical Setup
*/
#ifndef _xlate_h
#define _xlate_h
static char *SRCID_xlate_h = "$Id$";
-
extern void rename_atoms(t_atoms *atoms,t_symtab *symtab);
#endif
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
static char *SRCID_calcmu_c = "$Id$";
-
#include <stdio.h>
#include <stdlib.h>
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
static char *SRCID_calcvir_c = "$Id$";
-
#include "sysstuff.h"
#include "force.h"
#include "assert.h"
-#include "typedefs.h"
+/*
+ * $Id$
+ *
+ * This source code is part of
+ *
+ * G R O M A C S
+ *
+ * GROningen MAchine for Chemical Simulations
+ *
+ * VERSION 3.0
+ *
+ * Copyright (c) 1991-2001
+ * BIOSON Research Institute, Dept. of Biophysical Chemistry
+ * University of Groningen, The Netherlands
+ *
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
+ *
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+ *
+ * And Hey:
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
+ */
+static char *SRCID_callf77_c = "$Id$";
#include "callf77.h"
#include "fatal.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gyas ROwers Mature At Cryogenic Speed
*/
static char *SRCID_clincs_c = "$Id$";
-
#include <math.h>
#include "main.h"
#include "constr.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Gyas ROwers Mature At Cryogenic Speed
*/
static char *SRCID_compnl_c = "$Id$";
-
#include "ns.h"
#include "smalloc.h"
#include "wnblist.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gyas ROwers Mature At Cryogenic Speed
*/
static char *SRCID_congrad_c = "$Id$";
-
#include <string.h>
#include <time.h>
#include <math.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gyas ROwers Mature At Cryogenic Speed
*/
static char *SRCID_constr_c = "$Id$";
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Giant Rising Ordinary Mutants for A Clerical Setup
*/
static char *SRCID_coupling_c = "$Id$";
-
#include "typedefs.h"
#include "smalloc.h"
#include "update.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
static char *SRCID_csettle_c = "$Id$";
-
#include <math.h>
#include <stdio.h>
#include "vec.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
static char *SRCID_cshake_c = "$Id$";
-
#include <math.h>
#include "sysstuff.h"
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
static char *SRCID_dummies_c = "$Id$";
-
#include <stdio.h>
#include "typedefs.h"
#include "assert.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
static char *SRCID_ebin_c = "$Id$";
-
#include <math.h>
#include <string.h>
#include "sysstuff.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gyas ROwers Mature At Cryogenic Speed
*/
static char *SRCID_edsam_c = "$Id$";
-
#include <stdio.h>
#include <time.h>
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gyas ROwers Mature At Cryogenic Speed
*/
static char *SRCID_ewald_c = "$Id$";
-
#include <stdio.h>
#include <math.h>
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gyas ROwers Mature At Cryogenic Speed
*/
static char *SRCID_fftgrid_c = "$Id$";
-
#include "assert.h"
#include "typedefs.h"
#include "futil.h"
-c IMPORTANT!
+
+C
+C This source code is part of
+C
+C G R O M A C S
+C
+C GROningen MAchine for Chemical Simulations
+C
+C VERSION 3.0
+C
+C Copyright (c) 1991-2001
+C BIOSON Research Institute, Dept. of Biophysical Chemistry
+C University of Groningen, The Netherlands
+C
+C This program is free software; you can redistribute it and/or
+C modify it under the terms of the GNU General Public License
+C as published by the Free Software Foundation; either version 2
+C of the License, or (at your option) any later version.
+C
+C If you want to redistribute modifications, please consider that
+C scientific software is very special. Version control is crucial -
+C bugs must be traceable. We will be happy to consider code for
+C inclusion in the official distribution, but derived work must not
+C be called official GROMACS. Details are found in the README & COPYING
+C files - if they are missing, get the official version at www.gromacs.org.
+C
+C To help us fund GROMACS development, we humbly ask that you cite
+C the papers on the package - you can find them in the top README file.
+C
+C Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+C
+C And Hey:
+C GROup of MAchos and Cynical Suckers
+
+
+c IMPORTANT IMPORTANT IMPORTANT IMPORTANT !
c Note that this file comes in two flavours -
c fshake.f for single precision and fshaked.f
c for double precision. The only difference is
-c IMPORTANT!
+
+C
+C This source code is part of
+C
+C G R O M A C S
+C
+C GROningen MAchine for Chemical Simulations
+C
+C VERSION 3.0
+C
+C Copyright (c) 1991-2001
+C BIOSON Research Institute, Dept. of Biophysical Chemistry
+C University of Groningen, The Netherlands
+C
+C This program is free software; you can redistribute it and/or
+C modify it under the terms of the GNU General Public License
+C as published by the Free Software Foundation; either version 2
+C of the License, or (at your option) any later version.
+C
+C If you want to redistribute modifications, please consider that
+C scientific software is very special. Version control is crucial -
+C bugs must be traceable. We will be happy to consider code for
+C inclusion in the official distribution, but derived work must not
+C be called official GROMACS. Details are found in the README & COPYING
+C files - if they are missing, get the official version at www.gromacs.org.
+C
+C To help us fund GROMACS development, we humbly ask that you cite
+C the papers on the package - you can find them in the top README file.
+C
+C Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+C
+C And Hey:
+C GROup of MAchos and Cynical Suckers
+
+
+c IMPORTANT IMPORTANT IMPORTANT IMPORTANT !
c Note that this file comes in two flavours -
c fshake.f for single precision and fshaked.f
c for double precision. The only difference is
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
static char *SRCID_force_c = "$Id$";
-
#include <math.h>
#include "sysstuff.h"
#include "typedefs.h"
-c IMPORTANT!
+
+C
+C This source code is part of
+C
+C G R O M A C S
+C
+C GROningen MAchine for Chemical Simulations
+C
+C VERSION 3.0
+C
+C Copyright (c) 1991-2001
+C BIOSON Research Institute, Dept. of Biophysical Chemistry
+C University of Groningen, The Netherlands
+C
+C This program is free software; you can redistribute it and/or
+C modify it under the terms of the GNU General Public License
+C as published by the Free Software Foundation; either version 2
+C of the License, or (at your option) any later version.
+C
+C If you want to redistribute modifications, please consider that
+C scientific software is very special. Version control is crucial -
+C bugs must be traceable. We will be happy to consider code for
+C inclusion in the official distribution, but derived work must not
+C be called official GROMACS. Details are found in the README & COPYING
+C files - if they are missing, get the official version at www.gromacs.org.
+C
+C To help us fund GROMACS development, we humbly ask that you cite
+C the papers on the package - you can find them in the top README file.
+C
+C Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+C
+C And Hey:
+C GROup of MAchos and Cynical Suckers
+
+c IMPORTANT IMPORTANT IMPORTANT IMPORTANT!
c Note that this file comes in two flavours -
c fshake.f for single precision and fshaked.f
c for double precision. The only difference is
-c IMPORTANT!
+
+C
+C This source code is part of
+C
+C G R O M A C S
+C
+C GROningen MAchine for Chemical Simulations
+C
+C VERSION 3.0
+C
+C Copyright (c) 1991-2001
+C BIOSON Research Institute, Dept. of Biophysical Chemistry
+C University of Groningen, The Netherlands
+C
+C This program is free software; you can redistribute it and/or
+C modify it under the terms of the GNU General Public License
+C as published by the Free Software Foundation; either version 2
+C of the License, or (at your option) any later version.
+C
+C If you want to redistribute modifications, please consider that
+C scientific software is very special. Version control is crucial -
+C bugs must be traceable. We will be happy to consider code for
+C inclusion in the official distribution, but derived work must not
+C be called official GROMACS. Details are found in the README & COPYING
+C files - if they are missing, get the official version at www.gromacs.org.
+C
+C To help us fund GROMACS development, we humbly ask that you cite
+C the papers on the package - you can find them in the top README file.
+C
+C Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+C
+C And Hey:
+C GROup of MAchos and Cynical Suckers
+
+c IMPORTANT IMPORTANT IMPORTANT IMPORTANT !
c Note that this file comes in two flavours -
c fshake.f for single precision and fshaked.f
c for double precision. The only difference is
-c IMPORTANT!
+
+C
+C This source code is part of
+C
+C G R O M A C S
+C
+C GROningen MAchine for Chemical Simulations
+C
+C VERSION 3.0
+C
+C Copyright (c) 1991-2001
+C BIOSON Research Institute, Dept. of Biophysical Chemistry
+C University of Groningen, The Netherlands
+C
+C This program is free software; you can redistribute it and/or
+C modify it under the terms of the GNU General Public License
+C as published by the Free Software Foundation; either version 2
+C of the License, or (at your option) any later version.
+C
+C If you want to redistribute modifications, please consider that
+C scientific software is very special. Version control is crucial -
+C bugs must be traceable. We will be happy to consider code for
+C inclusion in the official distribution, but derived work must not
+C be called official GROMACS. Details are found in the README & COPYING
+C files - if they are missing, get the official version at www.gromacs.org.
+C
+C To help us fund GROMACS development, we humbly ask that you cite
+C the papers on the package - you can find them in the top README file.
+C
+C Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+C
+C And Hey:
+C GROup of MAchos and Cynical Suckers
+
+c IMPORTANT IMPORTANT IMPORTANT IMPORTANT !
c Note that this file comes in two flavours -
c fshake.f for single precision and fshaked.f
c for double precision. The only difference is
-c IMPORTANT!
+
+C
+C This source code is part of
+C
+C G R O M A C S
+C
+C GROningen MAchine for Chemical Simulations
+C
+C VERSION 3.0
+C
+C Copyright (c) 1991-2001
+C BIOSON Research Institute, Dept. of Biophysical Chemistry
+C University of Groningen, The Netherlands
+C
+C This program is free software; you can redistribute it and/or
+C modify it under the terms of the GNU General Public License
+C as published by the Free Software Foundation; either version 2
+C of the License, or (at your option) any later version.
+C
+C If you want to redistribute modifications, please consider that
+C scientific software is very special. Version control is crucial -
+C bugs must be traceable. We will be happy to consider code for
+C inclusion in the official distribution, but derived work must not
+C be called official GROMACS. Details are found in the README & COPYING
+C files - if they are missing, get the official version at www.gromacs.org.
+C
+C To help us fund GROMACS development, we humbly ask that you cite
+C the papers on the package - you can find them in the top README file.
+C
+C Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+C
+C And Hey:
+C GROup of MAchos and Cynical Suckers
+
+c IMPORTANT IMPORTANT IMPORTANT IMPORTANT !
c Note that this file comes in two flavours -
c fshake.f for single precision and fshaked.f
c for double precision. The only difference is
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gyas ROwers Mature At Cryogenic Speed
*/
static char *SRCID_ghat_c = "$Id$";
-
#include <stdio.h>
#include "typedefs.h"
#include "futil.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gyas ROwers Mature At Cryogenic Speed
*/
static char *SRCID_init_c = "$Id$";
-
#include <stdio.h>
#include "typedefs.h"
#include "tpxio.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gyas ROwers Mature At Cryogenic Speed
*/
static char *SRCID_md_c = "$Id$";
-
#include <signal.h>
#include <stdlib.h>
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gyas ROwers Mature At Cryogenic Speed
*/
static char *SRCID_mdatom_c = "$Id$";
-
#include "typedefs.h"
#include "mdatoms.h"
#include "smalloc.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gyas ROwers Mature At Cryogenic Speed
*/
static char *SRCID_mdebin_c = "$Id$";
-
#include <string.h>
#include "typedefs.h"
#include "string2.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
static char *SRCID_nm_c = "$Id$";
-
#include "typedefs.h"
#include "vec.h"
#include "smalloc.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
static char *SRCID_ns_c = "$Id$";
#ifdef USE_THREADS
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
static char *SRCID_nsb_c = "$Id$";
-
#include "sysstuff.h"
#include "assert.h"
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
static char *SRCID_nsgrid_c = "$Id$";
-
#include "assert.h"
#include "sysstuff.h"
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
+static char *SRCID_pme_c = "$Id$";
/* IMPORTANT FOR DEVELOPERS:
*
* Triclinic pme stuff isn't entirely trivial, and we've experienced
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gyas ROwers Mature At Cryogenic Speed
*/
static char *SRCID_poisson_c = "$Id$";
-
#include <math.h>
#include "smalloc.h"
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gyas ROwers Mature At Cryogenic Speed
*/
#ifndef _poisson_h
#define _poisson_h
static char *SRCID_poisson_h = "$Id$";
-
#include "typedefs.h"
#define llim2 (-3)
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gyas ROwers Mature At Cryogenic Speed
*/
static char *SRCID_pppm_c = "$Id$";
-
#include <stdio.h>
#include <math.h>
#include "assert.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gyas ROwers Mature At Cryogenic Speed
*/
static char *SRCID_psgather_c = "$Id$";
-
#include <math.h>
#include "poisson.h"
#include "nrnb.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gyas ROwers Mature At Cryogenic Speed
*/
static char *SRCID_pssolve_c = "$Id$";
-
#include "poisson.h"
#include "physics.h"
#include "vec.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
static char *SRCID_psspread_c = "$Id$";
-
#include <math.h>
#include "smalloc.h"
#include "vec.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
static char *SRCID_pull_c = "$Id$";
-
#include "futil.h"
#include "rdgroup.h"
#include "statutil.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
static char *SRCID_pullinit_c = "$Id$";
-
#include <string.h>
#include "princ.h"
#include <stdlib.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
static char *SRCID_pullio_c = "$Id$";
-
#include <string.h>
#include <stdlib.h>
#include "sysstuff.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
static char *SRCID_pullutil_c = "$Id$";
-
#include <stdlib.h>
#include "sysstuff.h"
#include "princ.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gyas ROwers Mature At Cryogenic Speed
*/
static char *SRCID_runner_c = "$Id$";
-
#include <string.h>
#include <time.h>
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gyas ROwers Mature At Cryogenic Speed
*/
static char *SRCID_shakef_c = "$Id$";
-
#include <math.h>
#include "sysstuff.h"
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gyas ROwers Mature At Cryogenic Speed
*/
static char *SRCID_sim_util_c = "$Id$";
-
#include <stdio.h>
#include <time.h>
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gyas ROwers Mature At Cryogenic Speed
*/
static char *SRCID_splittop_c = "$Id$";
-
#include "sysstuff.h"
#include "typedefs.h"
#include "splittop.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gyas ROwers Mature At Cryogenic Speed
*/
static char *SRCID_splittop_h = "$Id$";
-
#include "dummies.h"
extern void mdsplit_top(FILE *log,t_topology *top,t_commrec *cr,
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
static char *SRCID_steep_c = "$Id$";
-
#include <string.h>
#include <time.h>
#include <math.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
static char *SRCID_tables_c = "$Id$";
-
#include <math.h>
#include "typedefs.h"
#include "names.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
static char *SRCID_tgroup_c = "$Id$";
-
#include <math.h>
#include "macros.h"
#include "main.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-static char *SRCID_testfft_c = "$Id$";
-
+static char *SRCID_timefft_c = "$Id$";
#include <math.h>
#include <stdio.h>
#include <time.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
static char *SRCID_update_c = "$Id$";
-
#include <stdio.h>
#include <math.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gyas ROwers Mature At Cryogenic Speed
*/
static char *SRCID_vcm_c = "$Id$";
-
#include "macros.h"
#include "vcm.h"
#include "vec.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gyas ROwers Mature At Cryogenic Speed
*/
static char *SRCID_wnblist_c = "$Id$";
-
#include <stdio.h>
#include <string.h>
#include "string2.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gyas ROwers Mature At Cryogenic Speed
*/
#ifndef _wnblist_h
#define _wnblist_h
static char *SRCID_wnblist_h = "$Id$";
-
#ifdef HAVE_IDENT
#ident "@(#) wnblist.h 1.1 23 Oct 1994"
#endif /* HAVE_IDENT */
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gravel Rubs Often Many Awfully Cauterized Sores
*/
static char *SRCID_addconf_c = "$Id$";
-
#include <stdlib.h>
#include <string.h>
#include "vec.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * S C A M O R G
*/
static char *SRCID_addconf_h = "$Id$";
-
#include "typedefs.h"
extern
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gravel Rubs Often Many Awfully Cauterized Sores
*/
static char *SRCID_anadih_c = "$Id$";
-
#include <math.h>
#include <stdio.h>
#include "physics.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * S C A M O R G
*/
#ifndef _angstat_h
#define _angstat_h
static char *SRCID_angstat_h = "$Id$";
-
#include <stdio.h>
#include <typedefs.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gravel Rubs Often Many Awfully Cauterized Sores
*/
static char *SRCID_autocorr_c = "$Id$";
-
#include <stdio.h>
#include <math.h>
#include "macros.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROup of MAchos and Cynical Suckers
*/
static char *SRCID_average_c = "$Id$";
-
#include <stdio.h>
#include <math.h>
#include "string2.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROup of MAchos and Cynical Suckers
*/
static char *SRCID_bondlist_c = "$Id$";
#include "cdist.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROup of MAchos and Cynical Suckers
*/
static char *SRCID_calcpot_c = "$Id$";
-
#include "vec.h"
#include "calcpot.h"
#include "nrnb.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * S C A M O R G
*/
static char *SRCID_calcpot_h = "$Id$";
-
extern void init_calcpot(int nfile,t_filenm fnm[],t_topology *top,
rvec **x,t_parm *parm,t_commrec *cr,
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROup of MAchos and Cynical Suckers
*/
static char *SRCID_cdist_c = "$Id$";
-
#include <stdlib.h>
#include <ctype.h>
#include "assert.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * S C A M O R G
*/
static char *SRCID_cdist_h = "$Id$";
-
#define HEAD_LOADED
#include <stdio.h>
#include <math.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROup of MAchos and Cynical Suckers
*/
static char *SRCID_cmat_c = "$Id$";
-
#include "cmat.h"
#include "smalloc.h"
#include "macros.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * S C A M O R G
*/
#ifndef _cmat_h
#define _cmat_h
static char *SRCID_cmat_h = "$Id$";
-
#include "typedefs.h"
typedef struct {
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROup of MAchos and Cynical Suckers
*/
static char *SRCID_correct_c = "$Id$";
-
#include <math.h>
#include "assert.h"
#include "vec.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gromacs Runs On Most of All Computer Systems
*/
static char *SRCID_disco_c = "$Id$";
-
#include "macros.h"
#include "statutil.h"
#include "pdbio.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * S C A M O R G
*/
static char *SRCID_disco_h = "$Id$";
-
#define _correct_h
#include <stdio.h>
-#include <unistd.h>
+/*
+ * $Id$
+ *
+ * This source code is part of
+ *
+ * G R O M A C S
+ *
+ * GROningen MAchine for Chemical Simulations
+ *
+ * VERSION 3.0
+ *
+ * Copyright (c) 1991-2001
+ * BIOSON Research Institute, Dept. of Biophysical Chemistry
+ * University of Groningen, The Netherlands
+ *
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
+ *
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+ *
+ * And Hey:
+ * Gromacs Runs On Most of All Computer Systems
+ */
+static char *SRCID_discopar_c = "$Id$";
#include "typedefs.h"
#include "network.h"
#include "smalloc.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gromacs Runs On Most of All Computer Systems
*/
static char *SRCID_dlist_c = "$Id$";
-
#include <stdlib.h>
#include "string2.h"
#include "pp2shift.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gromacs Runs On Most of All Computer Systems
*/
static char *SRCID_do_dssp_c = "$Id$";
-
#include "sysstuff.h"
#include "typedefs.h"
#include "string2.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_dtools_c = "$Id$";
-
#include "smalloc.h"
#include "strdb.h"
#include "futil.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_editconf_c = "$Id$";
-
#include <math.h>
#include <string.h>
#include <ctype.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_edittop_c = "$Id$";
-
#include "smalloc.h"
#include "string2.h"
#include "fatal.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_eigio_c = "$Id$";
-
#include "smalloc.h"
#include "vec.h"
#include "eigio.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * S C A M O R G
*/
#ifndef _eigio_h
#define _eigio_h
static char *SRCID_eigio_h = "$Id$";
-
#include "typedefs.h"
enum { eWXR_NO, eWXR_YES, eWXR_NOFIT };
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
- * BIOSON Research Institute, Dept. of Biophysical Chemistr
+ * Copyright (c) 1991-2001
+ * BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_eneconv_c = "$Id$";
-
#include <string.h>
#include <math.h>
#include "string2.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Great Red Owns Many ACres of Sand
*/
static char *SRCID_expfit_c = "$Id$";
-
#include <sysstuff.h>
#include <string.h>
#include <math.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Great Red Owns Many ACres of Sand
*/
static char *SRCID_fitahx_c = "$Id$";
-
#include "fitahx.h"
#include "vec.h"
#include "do_fit.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * S C A M O R G
*/
#ifndef _fitahx_h
#define _fitahx_h
static char *SRCID_fitahx_h = "$Id$";
-
#include "typedefs.h"
#include "hxprops.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gravel Rubs Often Many Awfully Cauterized Sores
*/
static char *SRCID_g_anaeig_c = "$Id$";
-
#include <math.h>
#include <string.h>
#include "statutil.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gravel Rubs Often Many Awfully Cauterized Sores
*/
+
static char *SRCID_g_analyze_c = "$Id$";
#include <math.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gravel Rubs Often Many Awfully Cauterized Sores
*/
static char *SRCID_g_angle_c = "$Id$";
-
#include <math.h>
#include <string.h>
#include "sysstuff.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROup of MAchos and Cynical Suckers
*/
static char *SRCID_g_bond_c = "$Id$";
-
#include <math.h>
#include <string.h>
#include "sysstuff.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROup of MAchos and Cynical Suckers
*/
-static char *SRCID_g_gyrate_c = "$Id$";
-
+static char *SRCID_g_bundle_c = "$Id$";
#include <math.h>
#include <string.h>
#include "statutil.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROup of MAchos and Cynical Suckers
*/
static char *SRCID_g_chi_c = "$Id$";
-
#include <stdio.h>
#include <math.h>
#include "confio.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROup of MAchos and Cynical Suckers
*/
static char *SRCID_g_cluster_c = "$Id$";
-
#include <math.h>
#include <string.h>
#include <ctype.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROup of MAchos and Cynical Suckers
*/
static char *SRCID_g_com_c = "$Id$";
-
#include "sysstuff.h"
#include "smalloc.h"
#include "macros.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gromacs Runs On Most of All Computer Systems
*/
static char *SRCID_g_confrms_c = "$Id$";
-
#include "filenm.h"
#include "smalloc.h"
#include "macros.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gromacs Runs On Most of All Computer Systems
*/
static char *SRCID_g_covar_c = "$Id$";
-
#include <math.h>
#include <string.h>
#include <unistd.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gromacs Runs On Most of All Computer Systems
*/
static char *SRCID_g_density_c = "$Id$";
-
#include <math.h>
#include <ctype.h>
#include "sysstuff.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gromacs Runs On Most of All Computer Systems
*/
static char *SRCID_g_dielectric_c = "$Id$";
-
#include <stdio.h>
#include <stdlib.h>
#include <ctype.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gromacs Runs On Most of All Computer Systems
*/
static char *SRCID_g_dih_c = "$Id$";
-
#include <math.h>
#include "sysstuff.h"
#include "string2.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_g_dipoles_c = "$Id$";
-
#include <string.h>
#include <math.h>
#include "macros.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_g_disre_c = "$Id$";
-
#include <math.h>
#include <string.h>
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_g_dist_c = "$Id$";
-
#include <typedefs.h>
#include "smalloc.h"
#include "macros.h"
-#include "typedefs.h"
+/*
+ * $Id$
+ *
+ * This source code is part of
+ *
+ * G R O M A C S
+ *
+ * GROningen MAchine for Chemical Simulations
+ *
+ * VERSION 3.0
+ *
+ * Copyright (c) 1991-2001
+ * BIOSON Research Institute, Dept. of Biophysical Chemistry
+ * University of Groningen, The Netherlands
+ *
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
+ *
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+ *
+ * And Hey:
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ */
+static char *SRCID_g_dyndom_c = "$Id$";
#include "3dview.h"
#include "statutil.h"
#include "smalloc.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_g_enemat_c = "$Id$";
-
#include <string.h>
#include <math.h>
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Great Red Owns Many ACres of Sand
*/
static char *SRCID_g_energy_c = "$Id$";
-
#include <string.h>
#include <math.h>
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Great Red Owns Many ACres of Sand
*/
static char *SRCID_g_gyrate_c = "$Id$";
-
#include <math.h>
#include <string.h>
#include "statutil.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gravel Rubs Often Many Awfully Cauterized Sores
*/
static char *SRCID_g_h2order_c = "$Id$";
-
#include <math.h>
#include "sysstuff.h"
#include "string.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gravel Rubs Often Many Awfully Cauterized Sores
*/
static char *SRCID_g_hbond_c = "$Id$";
-
#ifdef HAVE_IDENT
#ident "@(#) g_hbond.cc 1.29 9/30/97"
#endif /* HAVE_IDENT */
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gravel Rubs Often Many Awfully Cauterized Sores
*/
static char *SRCID_g_helix_c = "$Id$";
-
#include <math.h>
#include "confio.h"
#include "copyrite.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROup of MAchos and Cynical Suckers
*/
-static char *SRCID_g_analyze_c = "$Id$";
-
+static char *SRCID_g_lie_c = "$Id$";
#include <math.h>
#include <string.h>
#include "statutil.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROup of MAchos and Cynical Suckers
*/
static char *SRCID_g_mdmat_c = "$Id$";
-
#include <math.h>
#include <string.h>
#include "macros.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROup of MAchos and Cynical Suckers
*/
static char *SRCID_g_mindist_c = "$Id$";
-
#include <math.h>
#include <stdlib.h>
#include "sysstuff.h"
-#include "typedefs.h"
+/*
+ * $Id$
+ *
+ * This source code is part of
+ *
+ * G R O M A C S
+ *
+ * GROningen MAchine for Chemical Simulations
+ *
+ * VERSION 3.0
+ *
+ * Copyright (c) 1991-2001
+ * BIOSON Research Institute, Dept. of Biophysical Chemistry
+ * University of Groningen, The Netherlands
+ *
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
+ *
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+ *
+ * And Hey:
+ * GROup of MAchos and Cynical Suckers
+ */
+static char *SRCID_g_morph_c = "$Id$";
#include "confio.h"
#include "statutil.h"
#include "smalloc.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * GROup of MAchos and Cynical Suckers
*/
static char *SRCID_g_msd_c = "$Id$";
-
#include <string.h>
#include <ctype.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gromacs Runs On Most of All Computer Systems
*/
static char *SRCID_g_multipoles_c = "$Id$";
-
#include <math.h>
#include "statutil.h"
#include "macros.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gromacs Runs On Most of All Computer Systems
*/
static char *SRCID_g_nmeig_c = "$Id$";
-
#include <math.h>
#include <string.h>
#include "statutil.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gromacs Runs On Most of All Computer Systems
*/
static char *SRCID_g_nmens_c = "$Id$";
-
#include <math.h>
#include <string.h>
#include "statutil.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gromacs Runs On Most of All Computer Systems
*/
static char *SRCID_g_order_c = "$Id$";
-
#include <math.h>
#include <ctype.h>
#include "sysstuff.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Gromacs Runs On Most of All Computer Systems
*/
static char *SRCID_g_potential_c = "$Id$";
-
#include <math.h>
#include <ctype.h>
#include "sysstuff.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_g_rama_c = "$Id$";
-
#include <math.h>
#include "sysstuff.h"
#include "string.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_g_rdf_c = "$Id$";
-
#include <math.h>
#include <ctype.h>
#include "string2.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_g_relax_c = "$Id$";
-
#include <math.h>
#include <stdlib.h>
#include "sysstuff.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_g_rms_c = "$Id$";
-
#include "smalloc.h"
#include "math.h"
#include "macros.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Great Red Owns Many ACres of Sand
*/
static char *SRCID_g_rmsdist_c = "$Id$";
-
#include <math.h>
#include <ctype.h>
#include "macros.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Great Red Owns Many ACres of Sand
*/
static char *SRCID_g_rmsf_c = "$Id$";
-
#include "smalloc.h"
#include "math.h"
#include "macros.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Great Red Owns Many ACres of Sand
*/
static char *SRCID_g_rotacf_c = "$Id$";
-
#include <math.h>
#include <string.h>
#include "sysstuff.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * Gravel Rubs Often Many Awfully Cauterized Sores
*/
static char *SRCID_g_run_rms_c = "$Id$";
-
#include <math.h>
#include "smalloc.h"
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * Gravel Rubs Often Many Awfully Cauterized Sores
*/
static char *SRCID_g_saltbr_c = "$Id$";
-
#include <math.h>
#include <string.h>
#include "macros.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * Gravel Rubs Often Many Awfully Cauterized Sores
*/
static char *SRCID_g_sas_c = "$Id$";
-
#include <math.h>
#include <stdlib.h>
#include "sysstuff.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * GROup of MAchos and Cynical Suckers
*/
static char *SRCID_g_sgangle_c = "$Id$";
-
#include <math.h>
#include "sysstuff.h"
#include "string.h"
-#include "sysstuff.h"
+/*
+ * $Id$
+ *
+ * This source code is part of
+ *
+ * G R O M A C S
+ *
+ * GROningen MAchine for Chemical Simulations
+ *
+ * VERSION 3.0
+ *
+ * Copyright (c) 1991-2001
+ * BIOSON Research Institute, Dept. of Biophysical Chemistry
+ * University of Groningen, The Netherlands
+ *
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
+ *
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+ *
+ * And Hey:
+ * GROup of MAchos and Cynical Suckers
+ */
+static char *SRCID_g_sorient_c = "$Id$";
#include "macros.h"
#include "statutil.h"
#include "smalloc.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * GROup of MAchos and Cynical Suckers
*/
-static char *SRCID_g_velacc_c = "$Id$";
-
+static char *SRCID_g_tcaf_c = "$Id$";
#include <stdio.h>
#include <math.h>
#include "confio.h"
/*
- * $Id$
- *
- * This source code is part of
- *
- * G R O M A C S
- *
- * GROningen MAchine for Chemical Simulations
- *
- * VERSION 1.6
+ * $Id$
*
- * Copyright (c) 1991-1997
+ * This source code is part of
+ *
+ * G R O M A C S
+ *
+ * GROningen MAchine for Chemical Simulations
+ *
+ * VERSION 3.0
+ *
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
- *
- * Also check out our WWW page:
- * http://rugmd0.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
- *
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
+ *
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+ *
* And Hey:
- * GROningen MAchine for Chemical Simulation
+ * GROup of MAchos and Cynical Suckers
*/
-static char *SRCID_g_coord_c = "$Id$";
-
+static char *SRCID_g_traj_c = "$Id$";
#include <math.h>
#include <string.h>
#include "statutil.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * GROup of MAchos and Cynical Suckers
*/
static char *SRCID_g_velacc_c = "$Id$";
-
#include <stdio.h>
#include <math.h>
#include "confio.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * Gromacs Runs On Most of All Computer Systems
*/
static char *SRCID_genbox_c = "$Id$";
-
#include "sysstuff.h"
#include "typedefs.h"
#include "smalloc.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * Gromacs Runs On Most of All Computer Systems
*/
static char *SRCID_genconf_c = "$Id$";
-
#include "maths.h"
#include "macros.h"
#include "copyrite.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * Gromacs Runs On Most of All Computer Systems
*/
static char *SRCID_gendr_c = "$Id$";
-
#include <stdio.h>
#include <math.h>
#include <string.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * Gromacs Runs On Most of All Computer Systems
*/
static char *SRCID_genion_c = "$Id$";
-
#include "copyrite.h"
#include "string2.h"
#include "smalloc.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_genpr_c = "$Id$";
-
#include <math.h>
#include "sysstuff.h"
#include "statutil.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_hxprops_c = "$Id$";
-
#include <math.h>
#include <string.h>
#include "macros.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * S C A M O R G
*/
#ifndef _hxprops_h
#define _hxprops_h
static char *SRCID_hxprops_h = "$Id$";
-
#include <stdio.h>
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_levenmar_c = "$Id$";
-
#include <math.h>
#include <malloc.h>
#include <stdio.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_lsq_c = "$Id$";
-
#include "typedefs.h"
#include "gstat.h"
#include "vec.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_luck_c = "$Id$";
-
#include <stdio.h>
#include "copyrite.h"
#include "string.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * Great Red Owns Many ACres of Sand
*/
static char *SRCID_make_ndx_c = "$Id$";
-
#include <ctype.h>
#include "sysstuff.h"
#include "strdb.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * Great Red Owns Many ACres of Sand
*/
static char *SRCID_mcprop_c = "$Id$";
-
#include <math.h>
#include "typedefs.h"
#include "random.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * S C A M O R G
*/
static char *SRCID_mcprop_h = "$Id$";
-
#include "typedefs.h"
typedef real t_propfunc(int nx,real x[]);
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * Great Red Owns Many ACres of Sand
*/
static char *SRCID_mk_angndx_c = "$Id$";
-
#include "typedefs.h"
#include "smalloc.h"
#include "copyrite.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * Gravel Rubs Often Many Awfully Cauterized Sores
*/
static char *SRCID_my_rdf_c = "$Id$";
-
#include <math.h>
#include "sysstuff.h"
#include "string.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * Gravel Rubs Often Many Awfully Cauterized Sores
*/
static char *SRCID_nsc_c = "$Id$";
-
#include <stdio.h>
#include <string.h>
#include <stdlib.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * S C A M O R G
*/
static char *SRCID_nsc_h = "$Id$";
-
#include "typedefs.h"
#define FLAG_DOTS 01
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * GROup of MAchos and Cynical Suckers
*/
static char *SRCID_orise_c = "$Id$";
-
#include "typedefs.h"
#include "maths.h"
#include "string2.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * S C A M O R G
*/
static char *SRCID_orise_h = "$Id$";
-
#include "typedefs.h"
#include "pinput.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * GROup of MAchos and Cynical Suckers
*/
static char *SRCID_pinput_c = "$Id$";
-
#include "paramio.h"
#include "pinput.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * S C A M O R G
*/
#ifndef _pinput_h
#define _pinput_h
static char *SRCID_pinput_h = "$Id$";
-
#include "typedefs.h"
#include "string2.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * GROup of MAchos and Cynical Suckers
*/
static char *SRCID_polynomials_c = "$Id$";
-
#include <stdio.h>
#include <math.h>
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * GROup of MAchos and Cynical Suckers
*/
static char *SRCID_pp2shift_c = "$Id$";
-
#include <stdlib.h>
#include <math.h>
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * S C A M O R G
*/
#ifndef _pp2shift_h
#define _pp2shift_h
static char *SRCID_pp2shift_h = "$Id$";
-
#include "typedefs.h"
/* must correspond with 'leg' g_chi.c:727 */
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * GROup of MAchos and Cynical Suckers
*/
static char *SRCID_proptim_c = "$Id$";
-
#include "typedefs.h"
#include "maths.h"
#include "string2.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * GROup of MAchos and Cynical Suckers
*/
static char *SRCID_ql77_c = "$Id$";
-
#include <math.h>
#include "typedefs.h"
#include "vec.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * S C A M O R G
*/
static char *SRCID_ql77_h = "$Id$";
-
extern void ql77 (int n,real *x,real *d);
/* Determine the eigenvalues d[n] and eigenvectors *
* of the symmetric n x n matrix x. The eigenvectors *
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * Gromacs Runs On Most of All Computer Systems
*/
static char *SRCID_readev_c = "$Id$";
-
#include "readev.h"
#include "futil.h"
#include "smalloc.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * S C A M O R G
*/
static char *SRCID_readev_h = "$Id$";
-
#include "typedefs.h"
#ifndef _readev_h
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * Gromacs Runs On Most of All Computer Systems
*/
static char *SRCID_recomb_c = "$Id$";
-
#include "recomb.h"
#include "futil.h"
#include "wgms.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * S C A M O R G
*/
#ifndef _recomb_h
#define _recomb_h
static char *SRCID_recomb_h = "$Id$";
-
#include "typedefs.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * Gromacs Runs On Most of All Computer Systems
*/
static char *SRCID_residues_c = "$Id$";
-
#include <math.h>
#include "assert.h"
#include "cdist.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * Gromacs Runs On Most of All Computer Systems
*/
static char *SRCID_sas2mat_c = "$Id$";
-
#include <string.h>
#include "sysstuff.h"
#include "matio.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_smooth_c = "$Id$";
-
#include "cdist.h"
#define NMRLEN 99.9
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_testacf_c = "$Id$";
-
#include <math.h>
#include "typedefs.h"
#include "xvgr.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_trjcat_c = "$Id$";
-
#include <string.h>
#include <math.h>
#include <unistd.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
static char *SRCID_trjconv_c = "$Id$";
-
#include <string.h>
#include <math.h>
#include <unistd.h>
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * GRowing Old MAkes el Chrono Sweat
+ * Glycine aRginine prOline Methionine Alanine Cystine Serine
*/
-static char *SRCID_g_gyrate_c = "$Id$";
-
+static char *SRCID_trjorder_c = "$Id$";
#include <math.h>
#include <string.h>
#include "statutil.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * Great Red Owns Many ACres of Sand
*/
static char *SRCID_wheel_c = "$Id$";
-
#include <math.h>
#include "sysstuff.h"
#include "physics.h"
/*
* $Id$
*
- * This source code is part of
+ * This source code is part of
*
- * G R O M A C S
+ * G R O M A C S
*
- * GROningen MAchine for Chemical Simulations
+ * GROningen MAchine for Chemical Simulations
*
- * VERSION 2.0
+ * VERSION 3.0
*
- * Copyright (c) 1991-1999
+ * Copyright (c) 1991-2001
* BIOSON Research Institute, Dept. of Biophysical Chemistry
* University of Groningen, The Netherlands
*
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation; either version 2
+ * of the License, or (at your option) any later version.
*
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
+ * If you want to redistribute modifications, please consider that
+ * scientific software is very special. Version control is crucial -
+ * bugs must be traceable. We will be happy to consider code for
+ * inclusion in the official distribution, but derived work must not
+ * be called official GROMACS. Details are found in the README & COPYING
+ * files - if they are missing, get the official version at www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the papers on the package - you can find them in the top README file.
+ *
+ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
*
* And Hey:
- * Great Red Oystrich Makes All Chemists Sane
+ * Great Red Owns Many ACres of Sand
*/
static char *SRCID_xpm2ps_c = "$Id$";
-
#include <math.h>
#include "string2.h"
#include "copyrite.h"
biod.pnpi.spb.ru / alexxy / gromacs.git / commitdiff