#######################################################################
AC_PREREQ(2.50)
-AC_INIT(GROMACS, 3.1.99_20021031, gmx-users@gromacs.org)
+AC_INIT(GROMACS, 3.2.0, gmx-users@gromacs.org)
AC_CONFIG_SRCDIR(src/gmxlib/3dview.c)
AC_CONFIG_AUX_DIR(config)
AC_CANONICAL_HOST
-AM_INIT_AUTOMAKE(gromacs, 3.1.99_20021031)
+AM_INIT_AUTOMAKE(gromacs, 3.2.0)
AC_PREFIX_DEFAULT(/usr/local/gromacs)
AM_CONFIG_HEADER(src/config.h)
dnl This is the version info according to the libtool versioning system.
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Grunge ROck MAChoS
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _3dview_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Grunge ROck MAChoS
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _assert_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Grunge ROck MAChoS
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _atomprop_h
#define _atomprop_h
+
#ifdef HAVE_CONFIG_H
#include <config.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Grunge ROck MAChoS
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _axp_asm_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Grunge ROck MAChoS
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _binio_h
#define _binio_h
-static char *SRCID_binio_h = "$Id$";
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Grunge ROck MAChoS
+ * Gromacs Runs On Most of All Computer Systems
*/
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Grunge ROck MAChoS
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _bondf_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Grunge ROck MAChoS
+ * Gromacs Runs On Most of All Computer Systems
*/
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Grunge ROck MAChoS
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _calch_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Grunge ROck MAChoS
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _calcmu_h
#define _calcmu_h
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Grunge ROck MAChoS
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _callf77_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Grunge ROck MAChoS
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _confio_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Grunge ROck MAChoS
+ * Gromacs Runs On Most of All Computer Systems
*/
-
#ifdef HAVE_CONFIG_H
#include<config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Grunge ROck MAChoS
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _copyrite_h
static const char *CopyrightText[] = {
"Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.",
- "Copyright (c) 1991-2002, University of Groningen, The Netherlands",
- "Check out http://www.gromacs.org for more information.\n"
+ "Copyright (c) 1991-2000, University of Groningen, The Netherlands.",
+ "Copyright (c) 2001-2004, The GROMACS development team,",
+ "check out http://www.gromacs.org for more information.\n"
};
static const char *GPLText[] = {
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Grunge ROck MAChoS
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _detectcpu_h
#define _detectcpu_h
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Grunge ROck MAChoS
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _dihre_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Grunge ROck MAChoS
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _disre_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Grunge ROck MAChoS
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _do_fit_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Grunge ROck MAChoS
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _do_md_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Grunge ROck MAChoS
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _dummies_h
#define _dummies_h
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Grunge ROck MAChoS
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _ebin_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Grunge ROck MAChoS
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _edsam_h
#define _edsam_h
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Grunge ROck MAChoS
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _enxio_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Grunge ROck MAChoS
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _ewald_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Grunge ROck MAChoS
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _ewald_util_h
#define _ewald_util_h
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Grunge ROck MAChoS
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _fatal_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Grunge ROck MAChoS
+ * Gromacs Runs On Most of All Computer Systems
*/
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Grunge ROck MAChoS
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _fftgrid_h
#define _fftgrid_h
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Grunge ROck MAChoS
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _fftw_wrapper_h
#define _fftw_wrapper_h
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.0
- *
- * Copyright (c) 1991-2001
- * BIOSON Research Institute, Dept. of Biophysical Chemistry
- * University of Groningen, The Netherlands
- *
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* To help us fund GROMACS development, we humbly ask that you cite
* the papers on the package - you can find them in the top README file.
*
- * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+ * For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Giving Russians Opium May Alter Current Situation
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _filenm_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Grunge ROck MAChoS
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _force_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Grunge ROck MAChoS
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _futil_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Grunge ROck MAChoS
+ * Gromacs Runs On Most of All Computer Systems
*/
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _gmx_system_xdr_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Grunge ROck MAChoS
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _complex_h
#define _complex_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Grunge ROck MAChoS
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _gmxfio_h
#define _gmxfio_h
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _grompp_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _gstat_h
#define _gstat_h
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _index_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _init_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _invblock_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _macros_h
#define _macros_h
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _main_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _maths_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _matio_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _mdatoms_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _mdebin_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _mdrun_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _metacode_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _mshift_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _mvdata_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _names_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
+
#ifndef _network_h
#define _network_h
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _nhash_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _nr_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _nrama_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _nrjac_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _nrnb_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _ns_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _nsb_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _nsgrid_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _orires_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _pbc_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _pdbio_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _pdebug_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _physics_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _pme_h
#define _pme_h
+
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _ppc_altivec_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _pppm_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _princ_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _pull_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _random_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _rbin_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _rdgroup_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _readcomp_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _readinp_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _renum_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _reorder_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _rmpbc_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _sheader_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _shift_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _shift_util_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _smalloc_h
#define _smalloc_h
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _sortwater_h
#define _sortwater_h
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _split_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _statusio_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _statutil_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _strdb_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _string2_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _struc2_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _superb_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _symtab_h
#define _symtab_h
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _sysstuff_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _tags_h
#define _tags_h
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _tgroup_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _tpxio_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _transfer_h
#define _transfer_h
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _trnio_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _txtdump_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _typedefs_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GRoups of Organic Molecules in ACtion for Science
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GRoups of Organic Molecules in ACtion for Science
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GRoups of Organic Molecules in ACtion for Science
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GRoups of Organic Molecules in ACtion for Science
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GRoups of Organic Molecules in ACtion for Science
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GRoups of Organic Molecules in ACtion for Science
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GRoups of Organic Molecules in ACtion for Science
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
/*
+ * $Id$
*
* This source code is part of
*
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.0
- *
- * Copyright (c) 1991-2001
- * BIOSON Research Institute, Dept. of Biophysical Chemistry
- * University of Groningen, The Netherlands
- *
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* To help us fund GROMACS development, we humbly ask that you cite
* the papers on the package - you can find them in the top README file.
*
- * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+ * For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Good ROcking Metal Altar for Chronical Sinners
+ * GRoups of Organic Molecules in ACtion for Science
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GRoups of Organic Molecules in ACtion for Science
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GRoups of Organic Molecules in ACtion for Science
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GRoups of Organic Molecules in ACtion for Science
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GRoups of Organic Molecules in ACtion for Science
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GRoups of Organic Molecules in ACtion for Science
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GRoups of Organic Molecules in ACtion for Science
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GRoups of Organic Molecules in ACtion for Science
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GRoups of Organic Molecules in ACtion for Science
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GRoups of Organic Molecules in ACtion for Science
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GRoups of Organic Molecules in ACtion for Science
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GRoups of Organic Molecules in ACtion for Science
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GRoups of Organic Molecules in ACtion for Science
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GRoups of Organic Molecules in ACtion for Science
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GRoups of Organic Molecules in ACtion for Science
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GRoups of Organic Molecules in ACtion for Science
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GRoups of Organic Molecules in ACtion for Science
*/
#ifndef _simple_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GRoups of Organic Molecules in ACtion for Science
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GRoups of Organic Molecules in ACtion for Science
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GRoups of Organic Molecules in ACtion for Science
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GRoups of Organic Molecules in ACtion for Science
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _update_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _utils_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _vcm_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _vec_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _viewit_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _wgms_h
#define _wgms_h
+
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _wman_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _writeps_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _x86_3dnow_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _x86_sse_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _x86_sse2_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _xdrf_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _xtcio_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * Gromacs Runs On Most of All Computer Systems
*/
#ifndef _xvgr_h
# Add new entries in Makefile.am!
EXTRA_PROGRAMS = sigeps mk6_n copyrgt mkyaw prfn options hrefify mkice \
- total hexamer optwat addquote do_shift g_anavel my_dssp anaf ehole anadock
+ total hexamer optwat addquote do_shift g_anavel my_dssp anaf ehole anadock cleanit
# Note: you don't have to list sources for "prog" if it is the single file prog.c
+cleanit_SOURCES = cleanit.c
+
my_dssp_SOURCES = my_dssp.c dsspcore.c
total_SOURCES = total.f
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * Giving Russians Opium May Alter Current Situation
*/
-
#include <ctype.h>
#include <string.h>
#include "strdb.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * Giving Russians Opium May Alter Current Situation
*/
-
#include <stdio.h>
#include <string.h>
#include <math.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * Giving Russians Opium May Alter Current Situation
*/
-
#include "typedefs.h"
#include "main.h"
#include "vec.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * Good gRace! Old Maple Actually Chews Slate
*/
-
#include "stdio.h"
#include "stdlib.h"
#include "macros.h"
void head(FILE *out, char *fn_, bool bH,
char *cstart, char *ccont, char *cend)
{
+ char buf[STRLEN];
int i;
fprintf(out,"%s\n",cstart);
for(i=0; (i<NH2); i++)
fprintf(out,"%s %s\n",ccont,head2[i]);
- fprintf(out,"%s %s\n",ccont,bromacs());
+ fprintf(out,"%s %s\n",ccont,bromacs(buf,STRLEN-1));
fprintf(out,"%s\n",cend);
if (bH) {
fprintf(out,"\n");
while ((strstr(line,"%") != NULL) && (!feof(in)))
/* File does start with comment, so delete it and add new */
fgets2(line,MAXS,in);
- head(out,"",FALSE,FALSE,"%","%","%");
+ head(out,"",FALSE,"%","%","%");
/* Skip over empty lines */
while ( (strlen(line) == 0) && !feof(in) )
if (fgets2(line,MAXS,in))
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * Good gRace! Old Maple Actually Chews Slate
*/
-
#include <stdlib.h>
#include "errno.h"
#include "sysstuff.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * Good gRace! Old Maple Actually Chews Slate
*/
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * Good gRace! Old Maple Actually Chews Slate
*/
-
#include <stdlib.h>
#include <math.h>
#include <string.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * Good gRace! Old Maple Actually Chews Slate
*/
-
#include <stdlib.h>
#include <math.h>
#include "typedefs.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * Good gRace! Old Maple Actually Chews Slate
*/
-
extern real get_omega(real ekin,int *seed,FILE *fp,char *fn);
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * Good gRace! Old Maple Actually Chews Slate
*/
-
#include <stdlib.h>
#include <math.h>
#include <string.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * Good gRace! Old Maple Actually Chews Slate
*/
-
#include "sysstuff.h"
#include "smalloc.h"
#include "macros.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * Good gRace! Old Maple Actually Chews Slate
*/
-
#include <stdio.h>
#include <string.h>
#include <time.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * Good gRace! Old Maple Actually Chews Slate
*/
-
#include <math.h>
#include <string.h>
#include <ctype.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * Good gRace! Old Maple Actually Chews Slate
*/
-
#include <math.h>
#include <string.h>
#include <ctype.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * Good gRace! Old Maple Actually Chews Slate
*/
-
#include <stdio.h>
#include <stdlib.h>
#include <math.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * Good gRace! Old Maple Actually Chews Slate
*/
-
#include <stdio.h>
#include <math.h>
#include "typedefs.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * Good gRace! Old Maple Actually Chews Slate
*/
-
#include <math.h>
#include <string.h>
#include <ctype.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * Good gRace! Old Maple Actually Chews Slate
*/
-
#define MY_DSSP
#include "../tools/do_dssp.c"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.0
- *
- * Copyright (c) 1991-2001
- * BIOSON Research Institute, Dept. of Biophysical Chemistry
- * University of Groningen, The Netherlands
- *
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* To help us fund GROMACS development, we humbly ask that you cite
* the papers on the package - you can find them in the top README file.
*
- * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+ * For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROup of MAchos and Cynical Suckers
+ * Good gRace! Old Maple Actually Chews Slate
*/
-
-
#include "typedefs.h"
#include "macros.h"
#include "statutil.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * Good gRace! Old Maple Actually Chews Slate
*/
-
#include <string.h>
#include "typedefs.h"
#include "smalloc.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * Good gRace! Old Maple Actually Chews Slate
*/
-
#include "filenm.h"
#include "futil.h"
#include "wman.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * Good gRace! Old Maple Actually Chews Slate
*/
-
#include <stdio.h>
#include <math.h>
#include "typedefs.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * Good gRace! Old Maple Actually Chews Slate
*/
-
#include <stdio.h>
#include <math.h>
#include "typedefs.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include <math.h>
#include "sysstuff.h"
#include "smalloc.h"
/*
* $Id$
*
- * This source code ispart of
+ * This source code is part of
*
* G R O M A C S
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include <ctype.h>
#include "sysstuff.h"
#include "smalloc.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
/*
* bfunc.h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
/* This file is completely threadsafe - keep it that way! */
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include <math.h>
#include "assert.h"
#include "physics.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
#include "typedefs.h"
#include "smalloc.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
#include "macros.h"
#include "calch.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
/* This file is completely threadsafe - keep it that way! */
#ifdef HAVE_CONFIG_H
#include <config.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
}
-static char *pukeit(char *db,char *defstring, char *retstring, int retsize, int *cqnum)
+static char *pukeit(char *db,char *defstring, char *retstring,
+ int retsize, int *cqnum)
{
FILE *fp;
char **help;
fprintf(out,"\n");
ster_print(out,GromacsVersion());
- fprintf(out,"\n");
+ fprintf(out,"\n\n");
- fprintf(out,"\n");
+ /* fprintf(out,"\n");*/
- sp_print(out,"PLEASE NOTE: THIS IS A BETA VERSION\n");
+ /* sp_print(out,"PLEASE NOTE: THIS IS A BETA VERSION\n");
- fprintf(out,"\n");
+ fprintf(out,"\n"); */
for(i=0; (i<NCR); i++)
sp_print(out,CopyrightText[i]);
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
/* This file is completely threadsafe - keep it that way! */
#ifdef HAVE_CONFIG_H
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#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)
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include <math.h>
#include "typedefs.h"
#include "sysstuff.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
/* This file is completely threadsafe - keep it that way! */
#include <math.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
#ifndef _dlb_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include "maths.h"
#include "sysstuff.h"
#include "typedefs.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include "futil.h"
#include "string2.h"
#include "fatal.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include <stdio.h>
#include <math.h>
#include "assert.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
/* This file is completely threadsafe - keep it that way! */
#ifdef HAVE_CONFIG_H
#include <config.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include <sysstuff.h>
#include <ctype.h>
#include <errno.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * S C A M O R G
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#ifdef USE_THREADS
#include <pthread.h> /* must come first! */
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
/* This file is completely threadsafe - keep it that way! */
#include <math.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
/* This file is completely threadsafe - keep it that way! */
#include <math.h>
#include "typedefs.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
/* This file is completely threadsafe - keep it that way! */
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include <stdio.h>
#include <stdlib.h>
#include <string.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
/* This file is completely threadsafe - keep it that way! */
-#include <stdio.h>
+/*
+ * $Id$
+ *
+ * This source code is part of
+ *
+ * G R O M A C S
+ *
+ * GROningen MAchine for Chemical Simulations
+ *
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the 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.
+ *
+ * For more info, check our website at http://www.gromacs.org
+ *
+ * And Hey:
+ * GROningen Mixture of Alchemy and Childrens' Stories
+ */
#include <stdlib.h>
#include <limits.h>
#include <string.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
/* This file is completely threadsafe - keep it that way! */
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include <ctype.h>
#include <string.h>
#include "sysstuff.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gyas ROwers Mature At Cryogenic Speed
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
#ifndef _inner_h
#define _inner_h
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include <ppc_altivec.h>
#include<stdio.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gyas ROwers Mature At Cryogenic Speed
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
/* This file is completely threadsafe - keep it that way! */
#include "typedefs.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gyas ROwers Mature At Cryogenic Speed
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gyas ROwers Mature At Cryogenic Speed
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include "macros.h"
const real ZERO = 0.0;
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gyas ROwers Mature At Cryogenic Speed
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include <stdio.h>
#include <stdlib.h>
#include <string.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gyas ROwers Mature At Cryogenic Speed
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include <math.h>
#include <limits.h>
#include "maths.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gyas ROwers Mature At Cryogenic Speed
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include <ctype.h>
#include "sysstuff.h"
#include "futil.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gyas ROwers Mature At Cryogenic Speed
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include <stdlib.h>
#include <string.h>
#include <metacode.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include <string.h>
#include <ctype.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gyas ROwers Mature At Cryogenic Speed
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include "copyrite.h"
#include "statutil.h"
#include "macros.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gyas ROwers Mature At Cryogenic Speed
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
/* This file is completely threadsafe - keep it that way! */
#include "minvert.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gyas ROwers Mature At Cryogenic Speed
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
#ifndef _minvert_h
#define _minvert_h
-
#include "typedefs.h"
/* A bunch of routines that works on matrices that run from 1 thru n
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gyas ROwers Mature At Cryogenic Speed
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
/* This file is NOT threadsafe, but it is only used to create
* the innerloops during the build process, so it will never be
* executed by multiple threads.
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gyas ROwers Mature At Cryogenic Speed
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
#ifndef _mkinl_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gyas ROwers Mature At Cryogenic Speed
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
/* This file is NOT threadsafe, but it is only used to create
* the innerloops during the build process, so it will never be
* executed by multiple threads.
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gyas ROwers Mature At Cryogenic Speed
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
/* This file is NOT threadsafe, but it is only used to create
* the innerloops during the build process, so it will never be
* executed by multiple threads.
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gyas ROwers Mature At Cryogenic Speed
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
/* This file is completely threadsafe - keep it that way! */
static const char finvsqrtdata[]={
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gyas ROwers Mature At Cryogenic Speed
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
/* This file is NOT threadsafe, but it is only used to create
* the innerloops during the build process, so it will never be
* executed by multiple threads.
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gyas ROwers Mature At Cryogenic Speed
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
/* This file is NOT threadsafe, but it is only used to create
* the innerloops during the build process, so it will never be
* executed by multiple threads.
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gyas ROwers Mature At Cryogenic Speed
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
/* This file is NOT threadsafe, but it is only used to create
* the innerloops during the build process, so it will never be
* executed by multiple threads.
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gyas ROwers Mature At Cryogenic Speed
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
/* This file is NOT threadsafe, but it is only used to create
* the innerloops during the build process, so it will never be
* executed by multiple threads.
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gyas ROwers Mature At Cryogenic Speed
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include "mkinl.h"
#include <string.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gyas ROwers Mature At Cryogenic Speed
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include <string.h>
#include "assert.h"
#include "smalloc.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gyas ROwers Mature At Cryogenic Speed
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
/* This file is completely threadsafe - keep it that way! */
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gyas ROwers Mature At Cryogenic Speed
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
/* This file is completely threadsafe - keep it that way! */
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gyas ROwers Mature At Cryogenic Speed
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include "typedefs.h"
#include "names.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gyas ROwers Mature At Cryogenic Speed
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include <string.h>
#include "fatal.h"
#include "main.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gyas ROwers Mature At Cryogenic Speed
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include <math.h>
#include "assert.h"
#include "sysstuff.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gyas ROwers Mature At Cryogenic Speed
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
/* This file is completely threadsafe - keep it that way! */
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gyas ROwers Mature At Cryogenic Speed
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include <string.h>
#include "sysstuff.h"
#include "fatal.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include "typedefs.h"
#include "smalloc.h"
#include "vec.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
/* This file is completely threadsafe - keep it that way! */
#include <stdio.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include <math.h>
#include "sysstuff.h"
#include "typedefs.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include "sysstuff.h"
#include "string2.h"
#include "vec.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
/* This file is completely threadsafe - keep it that way! */
#include "typedefs.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include <time.h>
#include "sysstuff.h"
#include "typedefs.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include <math.h>
#include "sysstuff.h"
#include "smalloc.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
/* This file is completely threadsafe - keep it that way! */
#include "typedefs.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include "sysstuff.h"
#include "smalloc.h"
#include "typedefs.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include <stdio.h>
#include <stdlib.h>
#include "typedefs.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
/* This file is completely threadsafe - keep it that way! */
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
/* This file is completely threadsafe - keep it that way! */
#include <ctype.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
#ifndef _replace_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include "sysstuff.h"
#include "typedefs.h"
#include "smalloc.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
/* This file is completely threadsafe - keep it that way! */
#include <string.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include <stdio.h>
#include <math.h>
#include "typedefs.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include "typedefs.h"
#include "random.h"
#include "smalloc.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include <string.h>
#include <stdio.h>
#include "typedefs.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include <stdio.h>
#include <stdlib.h>
#include "string2.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
/* This file is completely threadsafe - keep it that way! */
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include <stdio.h>
#include <string.h>
#include "sysstuff.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include <math.h>
#include <stdio.h>
#include "typedefs.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include <math.h>
#include <string.h>
#include "typedefs.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
/* This file is completely threadsafe - keep it that way! */
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include "macros.h"
#include "smalloc.h"
#include "xmlio.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include <string.h>
#include "sysstuff.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include <ctype.h>
#include "sysstuff.h"
#include "string2.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
/* This file is completely threadsafe - keep it that way! */
#include "vec.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
/* This file is completely threadsafe - keep it that way! */
#include "smalloc.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include <typedefs.h>
#include <vec.h>
#include <detectcpu.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
/* This file is completely threadsafe - keep it that way! */
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include <stdio.h>
#include "gstat.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include "widget.h"
#include "smalloc.h"
#include "fatal.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
#ifndef _widget_h
#define _widget_h
-
#include "typedefs.h"
#include <Xm/Xm.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Great Red Owns Many ACres of Sand
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
#include "string2.h"
#include "smalloc.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include <stdio.h>
#include "futil.h"
#include "fatal.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
#include "typedefs.h"
#include "xdrf.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include <stdlib.h>
#include "typedefs.h"
#ifdef HAVE_XML
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
extern void read_xml(char *fn,int *step,real *t,real *lambda,
t_inputrec *ir,rvec *box,int *natoms,
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include <string.h>
#include "typedefs.h"
#include "xdrf.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gnomes, ROck Monsters And Chili Sauce
+ * GROningen Mixture of Alchemy and Childrens' Stories
*/
-
#include <string.h>
#include <ctype.h>
#include "sysstuff.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
/* This file is completely threadsafe - keep it that way! */
#include <string.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
#ifndef _add_par_h
#define _add_par_h
-
#include "typedefs.h"
#include "pdb2top.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
/* This file is completely threadsafe - keep it that way! */
#include <math.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
#ifndef _convparm_h
#define _convparm_h
-
#include "typedefs.h"
extern void convert_params(int atnr,t_params plist[],
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
#include "typedefs.h"
#include "xmdrun.h"
#include "block_tx.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
#ifndef _dum_parm_h
#define _dum_parm_h
-
#include "typedefs.h"
#include "grompp.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
#include <math.h>
#include "typedefs.h"
#include "macros.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
#include "typedefs.h"
#include "xmdrun.h"
#include "block_tx.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
/* This file is completely threadsafe - keep it that way! */
#include <math.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
#ifndef _gen_ad_h
#define _gen_ad_h
-
#include "typedefs.h"
#include "toputil.h"
#include "topio.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
#ifndef _gen_dum_h
#define _gen_dum_h
-
#include "typedefs.h"
#include "grompp.h"
#include "hackblock.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-static char *SRCID_genalg_c = "$Id$";
/**H*O*C**************************************************************
** **
** No.!Version! Date ! Request ! Modification ! Author **
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-static char *SRCID_genalg_h = "$Id$";
#ifndef _genalg_h
#define _genalg_h
+
typedef struct {
int np; /* Number of points */
int atype; /* Atom type */
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
#include <time.h>
#include <ctype.h>
#include "assert.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
#ifndef _genhydro_h
#define _genhydro_h
-
#include "pdbio.h"
#include "hackblock.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
#include <stdio.h>
#include <math.h>
#include "typedefs.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
extern void do_glas(FILE *log,int start,int homenr,rvec x[],rvec f[],
t_forcerec *fr,t_mdatoms *md,int atnr,t_inputrec *ir,
real ener[]);
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
#include <stdio.h>
#include <string.h>
#include <ctype.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
#include <stdio.h>
#include <string.h>
#include <math.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
#include <sys/types.h>
#include <math.h>
#include <string.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
/* This file is completely threadsafe - keep it that way! */
#include <string.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
#ifndef _h_db_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
/* This file is completely threadsafe - keep it that way! */
#include <string.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
#ifndef _hackblock_h
#define _hackblock_h
-
#include "typedefs.h"
#include "pdbio.h"
#include "grompp.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
/* This file is completely threadsafe - keep it that way! */
#include <stdio.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
#ifndef _hizzie_h
#define _hizzie_h
-
extern void set_histp(t_atoms *pdba,rvec *x,real angle,real distance);
/* calculate HIStidine protonation state */
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
/* This file is completely threadsafe - keep it that way! */
#include "xmdrun.h"
#include "smalloc.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
typedef struct {
real photo,coh,incoh,incoh_abs;
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
#include <string.h>
#include "smalloc.h"
#include "typedefs.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
#ifndef _ionize_h
#define _ionize_h
-
#include <stdio.h>
#include "typedefs.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
#include <stdio.h>
#include "copyrite.h"
#include "string.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
#include <signal.h>
#include <stdlib.h>
#include "typedefs.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
#include "typedefs.h"
#include "macros.h"
#include "copyrite.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
#include <math.h>
#include <stdio.h>
#include "copyrite.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
/* This file is completely threadsafe - keep it that way! */
#include "maths.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
#include <time.h>
#include <ctype.h>
#include "assert.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
#include <stdio.h>
#include <math.h>
#include <ctype.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
#ifndef _pdb2top_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
/* This file is completely threadsafe - keep it that way! */
#ifdef HAVE_CONFIG_H
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
#ifndef _pgutil_h
-/*\r
- * $Id$\r
- * \r
- * This source code is part of\r
- * \r
- * G R O M A C S\r
- * \r
- * GROningen MAchine for Chemical Simulations\r
- * \r
- * VERSION 3.1\r
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands\r
- * This program is free software; you can redistribute it and/or\r
- * modify it under the terms of the GNU General Public License\r
- * as published by the Free Software Foundation; either version 2\r
- * of the License, or (at your option) any later version.\r
- * \r
- * If you want to redistribute modifications, please consider that\r
- * scientific software is very special. Version control is crucial -\r
- * bugs must be traceable. We will be happy to consider code for\r
- * inclusion in the official distribution, but derived work must not\r
- * be called official GROMACS. Details are found in the README & COPYING\r
- * files - if they are missing, get the official version at www.gromacs.org.\r
- * \r
- * To help us fund GROMACS development, we humbly ask that you cite\r
- * the papers on the package - you can find them in the top README file.\r
- * \r
- * For more info, check our website at http://www.gromacs.org\r
- * \r
- * And Hey:\r
- * GROningen Mixture of Alchemy and Childrens' Stories\r
- */\r
+/*
+ * $Id$
+ *
+ * This source code is part of
+ *
+ * G R O M A C S
+ *
+ * GROningen MAchine for Chemical Simulations
+ *
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the 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.
+ *
+ * For more info, check our website at http://www.gromacs.org
+ *
+ * And Hey:
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
+ */
#include <math.h>\r
#include "typedefs.h"\r
#include "macros.h"\r
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
#include <ctype.h>
#include <stdlib.h>
#include <limits.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
#ifndef _readir_h
#define _readir_h
-
#include "typedefs.h"
#include "string2.h"
#include "grompp.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
#include <string.h>
#include "assert.h"
#include "typedefs.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
#include "sysstuff.h"
#include <ctype.h>
#include "assert.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
#ifndef _resall_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
#include <time.h>
#include <ctype.h>
#include "assert.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
#include <limits.h>
#include "sysstuff.h"
#include "smalloc.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
#ifndef _sorting_h
#define _sorting_h
-
#include "typedefs.h"
typedef atom_id t_bond[2];
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
#include <ctype.h>
#include <math.h>
#include "typedefs.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
#ifndef _specbond_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
#include <stdio.h>
#include "sysstuff.h"
#include "assert.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
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.
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
#include "sysstuff.h"
#include "smalloc.h"
#include "typedefs.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
#ifndef _ter_db_h
#define _ter_db_h
-
#include "sysstuff.h"
#include "hackblock.h"
#include "grompp.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
/* This file is completely threadsafe - keep it that way! */
#include <stdlib.h>
#include <math.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
#include <math.h>
#include "sysstuff.h"
#include "smalloc.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
#ifndef _topcat_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
#ifndef _topdef_h
#define _topdef_h
-
/* These are the indices for combination rule selection */
#define COMB_GROMOS 1 /* Gromos rules */
#define COMB_EPSSIG 2 /* Epsilon and Sigma */
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
#include <stdio.h>
#include <stdarg.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
#ifndef _topdirs_h
#define _topdirs_h
-
#include "grompp.h"
typedef struct tagDirStack {
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
/* This file is completely threadsafe - keep it that way! */
#include "assert.h"
#include "sysstuff.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
#ifndef _topexcl_h
#define _topexcl_h
-
#include "topio.h"
typedef struct {
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
#include <math.h>
#include <sys/types.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
#ifndef _topio_h
#define _topio_h
-
#include "typedefs.h"
#include "readir.h"
#include "grompp.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
#include <math.h>
#include "sysstuff.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
#ifndef _toppush_h
#define _toppush_h
-
#include "typedefs.h"
#include "toputil.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
/* This file is completely threadsafe - keep it that way! */
#include <ctype.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
#ifndef _topshake_h
#define _topshake_h
-
#include "topio.h"
void make_shake (t_params plist[],t_atoms *atoms,t_atomtype *at,int nshake);
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
#include "assert.h"
#include "smalloc.h"
#include "sysstuff.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
#ifndef _toputil_h
#define _toputil_h
-
#include "grompp.h"
/* UTILITIES */
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
/* This file is completely threadsafe - keep it that way! */
#include <math.h>
#include <stdio.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
#ifndef _tpbcmp_h
#define _tpbcmp_h
-
extern void comp_tpx(char *fn1,char *fn2,real ftol);
/* Compare two binary topology files */
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
#include <math.h>
#include "index.h"
#include "fatal.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
#include "maths.h"
#include "macros.h"
#include "copyrite.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
#ifndef _x2top_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
#include <ctype.h>
#include <string.h>
#include "typedefs.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
#ifndef _xlate_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
#ifndef _xmdrun_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
*/
-
-
#include "typedefs.h"
#include "smalloc.h"
#include "strdb.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * GROwing Monsters And Cloning Shrimps
*/
-
/* This file is completely threadsafe - keep it that way! */
#include <stdio.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * GROwing Monsters And Cloning Shrimps
*/
-
/* This file is completely threadsafe - keep it that way! */
#include "sysstuff.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * GROwing Monsters And Cloning Shrimps
*/
-
/* This file is completely threadsafe - keep it that way! */
#include "callf77.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * GROwing Monsters And Cloning Shrimps
*/
-
/* This file is completely threadsafe - keep it that way! */
#include <math.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * GROwing Monsters And Cloning Shrimps
*/
-
#include "ns.h"
#include "smalloc.h"
#include "wnblist.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * GROwing Monsters And Cloning Shrimps
*/
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * GROwing Monsters And Cloning Shrimps
*/
-
#include "typedefs.h"
#include "smalloc.h"
#include "update.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * GROwing Monsters And Cloning Shrimps
*/
-
#include <math.h>
#include <stdio.h>
#include "vec.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * GROwing Monsters And Cloning Shrimps
*/
-
#include <stdio.h>
#include "typedefs.h"
#include "assert.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * GROwing Monsters And Cloning Shrimps
*/
-
/* This file is completely threadsafe - keep it that way! */
#include <math.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * GROwing Monsters And Cloning Shrimps
*/
-
#include <stdio.h>
#include <time.h>
#include "typedefs.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * GROwing Monsters And Cloning Shrimps
*/
-
#include <stdio.h>
#include <math.h>
#include "typedefs.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * GROwing Monsters And Cloning Shrimps
*/
-
/* This file is completely threadsafe - keep it that way! */
#include "assert.h"
-#include <stdio.h>
+/*
+ * $Id$
+ *
+ * This source code is part of
+ *
+ * G R O M A C S
+ *
+ * GROningen MAchine for Chemical Simulations
+ *
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the 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.
+ *
+ * For more info, check our website at http://www.gromacs.org
+ *
+ * And Hey:
+ * GROwing Monsters And Cloning Shrimps
+ */
#include <math.h>
#include "typedefs.h"
#include "fatal.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * GROwing Monsters And Cloning Shrimps
*/
-
#include <math.h>
#include "sysstuff.h"
#include "typedefs.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * GROwing Monsters And Cloning Shrimps
*/
-
/* This file is completely threadsafe - keep it that way! */
#include <stdio.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * GROwing Monsters And Cloning Shrimps
*/
-
#include <stdio.h>
#include "typedefs.h"
#include "tpxio.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * GROwing Monsters And Cloning Shrimps
*/
-
#include "typedefs.h"
#include "mdatoms.h"
#include "smalloc.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * GROwing Monsters And Cloning Shrimps
*/
-
#include <string.h>
#include "typedefs.h"
#include "string2.h"
-/* * $Id$
+/*
+ * $Id$
*
* This source code is part of
*
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* To help us fund GROMACS development, we humbly ask that you cite
* the papers on the package - you can find them in the top README file.
*
-
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * GROwing Monsters And Cloning Shrimps
*/
-
#include <string.h>
#include <time.h>
#include <math.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * GROwing Monsters And Cloning Shrimps
*/
-
#ifdef USE_THREADS
#include <pthread.h> /* must come first */
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Getting the Right Output Means no Artefacts in Calculating Stuff
+ * GROwing Monsters And Cloning Shrimps
*/
-
/* This file is completely threadsafe - keep it that way! */
#include "sysstuff.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROup of MAchos and Cynical Suckers
+ * GROwing Monsters And Cloning Shrimps
*/
/* This file is completely threadsafe - keep it that way! */
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROup of MAchos and Cynical Suckers
+ * GROwing Monsters And Cloning Shrimps
*/
-
/* IMPORTANT FOR DEVELOPERS:
*
* Triclinic pme stuff isn't entirely trivial, and we've experienced
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROup of MAchos and Cynical Suckers
+ * GROwing Monsters And Cloning Shrimps
*/
-
#include <stdio.h>
#include <math.h>
#include "assert.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.0
- *
- * Copyright (c) 1991-2001
- * BIOSON Research Institute, Dept. of Biophysical Chemistry
- * University of Groningen, The Netherlands
- *
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* To help us fund GROMACS development, we humbly ask that you cite
* the papers on the package - you can find them in the top README file.
*
- * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+ * For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
+ * GROwing Monsters And Cloning Shrimps
*/
-
#include "futil.h"
#include "rdgroup.h"
#include "statutil.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROup of MAchos and Cynical Suckers
+ * GROwing Monsters And Cloning Shrimps
*/
-
#ifndef _pull_internal_h
#define _pull_internal_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.0
- *
- * Copyright (c) 1991-2001
- * BIOSON Research Institute, Dept. of Biophysical Chemistry
- * University of Groningen, The Netherlands
- *
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* To help us fund GROMACS development, we humbly ask that you cite
* the papers on the package - you can find them in the top README file.
*
- * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+ * For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
+ * GROwing Monsters And Cloning Shrimps
*/
-
/* This file is threadsafe - keep it that way */
#include <string.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.0
- *
- * Copyright (c) 1991-2001
- * BIOSON Research Institute, Dept. of Biophysical Chemistry
- * University of Groningen, The Netherlands
- *
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* To help us fund GROMACS development, we humbly ask that you cite
* the papers on the package - you can find them in the top README file.
*
- * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+ * For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
+ * GROwing Monsters And Cloning Shrimps
*/
-
#include <string.h>
#include <stdlib.h>
#include "sysstuff.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.0
- *
- * Copyright (c) 1991-2001
- * BIOSON Research Institute, Dept. of Biophysical Chemistry
- * University of Groningen, The Netherlands
- *
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* To help us fund GROMACS development, we humbly ask that you cite
* the papers on the package - you can find them in the top README file.
*
- * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+ * For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
+ * GROwing Monsters And Cloning Shrimps
*/
-
#include <stdlib.h>
#include "sysstuff.h"
#include "princ.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROup of MAchos and Cynical Suckers
+ * GROwing Monsters And Cloning Shrimps
*/
-
#include <math.h>
#include "sysstuff.h"
#include "typedefs.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROup of MAchos and Cynical Suckers
+ * GROwing Monsters And Cloning Shrimps
*/
-
#include <stdio.h>
#include <time.h>
#include <math.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROup of MAchos and Cynical Suckers
+ * GROwing Monsters And Cloning Shrimps
*/
/* This file is completely threadsafe - keep it that way! */
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROup of MAchos and Cynical Suckers
+ * GROwing Monsters And Cloning Shrimps
*/
-
#include "dummies.h"
extern void mdsplit_top(FILE *log,t_topology *top,t_commrec *cr,
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROup of MAchos and Cynical Suckers
+ * GROwing Monsters And Cloning Shrimps
*/
-
#include <math.h>
#include "typedefs.h"
#include "names.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROup of MAchos and Cynical Suckers
+ * GROwing Monsters And Cloning Shrimps
*/
-
/* This file is completely threadsafe - keep it that way! */
#include <math.h>
#include "macros.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROup of MAchos and Cynical Suckers
+ * GROwing Monsters And Cloning Shrimps
*/
-
#include <math.h>
#include <stdio.h>
#include <time.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROup of MAchos and Cynical Suckers
+ * GROwing Monsters And Cloning Shrimps
*/
-
#include <stdio.h>
#include <math.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs On Most of All Computer Systems
+ * GROwing Monsters And Cloning Shrimps
*/
-
/* This file is completely threadsafe - keep it that way! */
#include "macros.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs On Most of All Computer Systems
+ * GROwing Monsters And Cloning Shrimps
*/
-
/* This file is completely threadsafe - keep it that way! */
#include <stdio.h>
#include <string.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs On Most of All Computer Systems
+ * GROwing Monsters And Cloning Shrimps
*/
#ifndef _wnblist_h
#define _wnblist_h
-
#include "stdio.h"
#include "typedefs.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
#ifndef _Xstuff_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs On Most of All Computer Systems
+ * Gyas ROwers Mature At Cryogenic Speed
*/
-
#include <sysstuff.h>
#include <string.h>
#include <smalloc.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs On Most of All Computer Systems
+ * Gyas ROwers Mature At Cryogenic Speed
*/
#ifndef _buttons_h
#define _buttons_h
-
#include <xutil.h>
enum {
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs On Most of All Computer Systems
+ * Gyas ROwers Mature At Cryogenic Speed
*/
-
#include "smalloc.h"
#include "sysstuff.h"
#include "macros.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs On Most of All Computer Systems
+ * Gyas ROwers Mature At Cryogenic Speed
*/
#ifndef _dialogs_h
#define _dialogs_h
-
#include "xdlg.h"
#include "pulldown.h"
#include "manager.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs On Most of All Computer Systems
+ * Gyas ROwers Mature At Cryogenic Speed
*/
-
#include <stdio.h>
#include <stdlib.h>
#include <xdlghi.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs On Most of All Computer Systems
+ * Gyas ROwers Mature At Cryogenic Speed
*/
-
#include <stdio.h>
#include <stdlib.h>
#include <string.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
#ifndef _fgrid_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
-
#include <string.h>
#include "sysstuff.h"
#include "futil.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
-
#include "logo.h"
void main(int argc, char *argv[])
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
-
#include <stdio.h>
#include <math.h>
#include "futil.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
-
#include "sysstuff.h"
#include "Xstuff.h"
#include "xutil.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
#ifndef _logo_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
-
#include <sysstuff.h>
#include <string.h>
#include <smalloc.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
#ifndef _manager_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
-
#include <math.h>
#include "sysstuff.h"
#include "string.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
#ifndef _molps_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
-
#include <math.h>
#include <smalloc.h>
#include <macros.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
#ifndef _nener_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
-
#include <ctype.h>
#include <string.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
-
#include <ctype.h>
#include <string.h>
#include <smalloc.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
#ifndef _nleg_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
-
#include <math.h>
#include <typedefs.h>
#include <macros.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
#ifndef _nload_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
-
#include <math.h>
#include "sysstuff.h"
#include "string.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
#ifndef _nmol_h
#define _nmol_h
-
#include "x11.h"
#include "xutil.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
-
#include <string.h>
#include <math.h>
#include <macros.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
#ifndef _popup_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
-
#include <string.h>
#include <smalloc.h>
#include <x11.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
#ifndef _pulldown_h
#define _pulldown_h
-
#include "popup.h"
typedef struct {
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
-
#include <sysstuff.h>
#include <Xstuff.h>
#include <xutil.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
-
#include <math.h>
#include <smalloc.h>
#include <sysstuff.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
-
#include "x11.h"
#include "nmol.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
-
#include <Xstuff.h>
#include <x11.h>
#include "sysstuff.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
#ifndef _x11_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
-
#include <stdio.h>
#include <stdlib.h>
#include <string.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
#ifndef _xdlg_h
#define _xdlg_h
-
#include <xdlgitem.h>
#define DLG_SHOW (1<<0)
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
-
#include <assert.h>
#include <string.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
#ifndef _xdlghi_h
#define _xdlghi_h
-
#include <stdarg.h>
#include "Xstuff.h"
#include "x11.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
-
#include <stdio.h>
#include <stdlib.h>
#include <string.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
#ifndef _xdlgitem_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
-
#include <stdio.h>
#include <stdlib.h>
#include <string.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
#ifndef _xmb_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
-
#include <stdlib.h>
#include <math.h>
#include <string.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
-
#include "sysstuff.h"
#include "smalloc.h"
#include "x11.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
-
#include <stdio.h>
#include <stdlib.h>
#include <string.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Gyas ROwers Mature At Cryogenic Speed
*/
#ifndef _xutil_h
#define _xutil_h
-
#include "typedefs.h"
#include "writeps.h"
#include "Xstuff.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <stdlib.h>
#include <string.h>
#include "vec.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
#include "typedefs.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include <stdio.h>
#include <string.h>
-#include "stdio.h"
+/*
+ * $Id$
+ *
+ * This source code is part of
+ *
+ * G R O M A C S
+ *
+ * GROningen MAchine for Chemical Simulations
+ *
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the 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.
+ *
+ * For more info, check our website at http://www.gromacs.org
+ *
+ * And Hey:
+ * Green Red Orange Magenta Azure Cyan Skyblue
+ */
#include "confio.h"
#include "copyrite.h"
#include "futil.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
#ifndef _angstat_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <stdio.h>
#include <math.h>
#include "macros.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <stdio.h>
#include <math.h>
#include "string2.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include "cdist.h"
typedef struct list {
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include "vec.h"
#include "calcpot.h"
#include "nrnb.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
extern void init_calcpot(char *log,char *tpx,char *table,
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <stdlib.h>
#include <ctype.h>
#include "assert.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#define HEAD_LOADED
#include <stdio.h>
#include <math.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include "cmat.h"
#include "smalloc.h"
#include "macros.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
#ifndef _cmat_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include "assert.h"
#include "vec.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include "macros.h"
#include "statutil.h"
#include "pdbio.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#define _correct_h
#include <stdio.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include "typedefs.h"
#include "network.h"
#include "smalloc.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <stdlib.h>
#include "string2.h"
#include "smalloc.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include "sysstuff.h"
#include "typedefs.h"
#include "string2.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include "smalloc.h"
#include "strdb.h"
#include "futil.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include <string.h>
#include <ctype.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include "smalloc.h"
#include "string2.h"
#include "fatal.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include "smalloc.h"
#include "vec.h"
#include "eigio.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
#ifndef _eigio_h
#define _eigio_h
-
#include "typedefs.h"
enum { eWXR_NO, eWXR_YES, eWXR_NOFIT };
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <string.h>
#include <math.h>
#include "string2.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <sysstuff.h>
#include <string.h>
#include <math.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include "fitahx.h"
#include "vec.h"
#include "do_fit.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
#ifndef _fitahx_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include <string.h>
#include "statutil.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include <string.h>
#include "statutil.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include <string.h>
#include "sysstuff.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include <string.h>
#include "sysstuff.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include <string.h>
#include "statutil.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <stdio.h>
#include <math.h>
#include "confio.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include <string.h>
#include <ctype.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include <ctype.h>
#include <assert.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include "sysstuff.h"
#include "smalloc.h"
#include "macros.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include "filenm.h"
#include "smalloc.h"
#include "macros.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include <string.h>
#include <time.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include <ctype.h>
#include "sysstuff.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <stdio.h>
#include <stdlib.h>
#include <ctype.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include "sysstuff.h"
#include "string2.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <string.h>
#include <math.h>
#include "macros.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include <string.h>
#include <assert.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <typedefs.h>
#include "smalloc.h"
#include "macros.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include "3dview.h"
#include "statutil.h"
#include "smalloc.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <string.h>
#include <math.h>
#include "typedefs.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-static char *SRCID_g_filter_c = "$Id$";
#include <math.h>
#include <string.h>
#include "statutil.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include <string.h>
#include "statutil.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include "sysstuff.h"
#include "string.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include "statutil.h"
#include "copyrite.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include "confio.h"
#include "copyrite.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <stdio.h>
#include <stdlib.h>
#include <math.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include <string.h>
#include "macros.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
-
#include <math.h>
#include <stdlib.h>
#include "sysstuff.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include "confio.h"
#include "statutil.h"
#include "smalloc.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <string.h>
#include <ctype.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include "statutil.h"
#include "macros.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROtesk MACabre and Sinister
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include <string.h>
#include "statutil.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROtesk MACabre and Sinister
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include <string.h>
#include "statutil.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROtesk MACabre and Sinister
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include <ctype.h>
#include "sysstuff.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROtesk MACabre and Sinister
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include <ctype.h>
#include "sysstuff.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROtesk MACabre and Sinister
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include "sysstuff.h"
#include "string.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROtesk MACabre and Sinister
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include <ctype.h>
#include "string2.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROtesk MACabre and Sinister
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include <stdlib.h>
#include "sysstuff.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROtesk MACabre and Sinister
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include "smalloc.h"
#include "math.h"
#include "macros.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROtesk MACabre and Sinister
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include <ctype.h>
#include "macros.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROtesk MACabre and Sinister
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include "smalloc.h"
#include "math.h"
#include "macros.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROtesk MACabre and Sinister
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include <string.h>
#include "sysstuff.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROtesk MACabre and Sinister
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include "smalloc.h"
#include "typedefs.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROtesk MACabre and Sinister
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include <string.h>
#include "macros.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROtesk MACabre and Sinister
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include <stdlib.h>
#include "sysstuff.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROtesk MACabre and Sinister
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include "sysstuff.h"
#include "string.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROtesk MACabre and Sinister
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include "macros.h"
#include "statutil.h"
#include "smalloc.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROtesk MACabre and Sinister
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <stdio.h>
#include <math.h>
#include "confio.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROtesk MACabre and Sinister
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include <string.h>
#include "statutil.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROtesk MACabre and Sinister
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <stdio.h>
#include <math.h>
#include "confio.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.0
- *
- * Copyright (c) 1991-2001
- * BIOSON Research Institute, Dept. of Biophysical Chemistry
- * University of Groningen, The Netherlands
- *
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* To help us fund GROMACS development, we humbly ask that you cite
* the papers on the package - you can find them in the top README file.
*
- * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
+ * For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gyas ROwers Mature At Cryogenic Speed
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
/* This line is only for CVS version info */
static float Temperature=298.0;
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include "sysstuff.h"
#include "typedefs.h"
#include "smalloc.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include "maths.h"
#include "macros.h"
#include "copyrite.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <stdio.h>
#include <math.h>
#include <string.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-static char *SRCID_genion_c = "$Id$";
#include <ctype.h>
#include "copyrite.h"
#include "string2.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Gromacs Runs One Microsecond At Cannonball Speeds
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include "sysstuff.h"
#include "statutil.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROtesk MACabre and Sinister
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include <string.h>
#include "macros.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROtesk MACabre and Sinister
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
#ifndef _hxprops_h
#define _hxprops_h
-
#include <stdio.h>
#include "typedefs.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * GROtesk MACabre and Sinister
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include <stdio.h>
#include <stdlib.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* And Hey:
* Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include "typedefs.h"
#include "gstat.h"
#include "vec.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* And Hey:
* Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <stdio.h>
#include "copyrite.h"
#include "string.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* And Hey:
* Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <ctype.h>
#include "sysstuff.h"
#include "strdb.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* And Hey:
* Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include "typedefs.h"
#include "random.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* And Hey:
* Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include "typedefs.h"
typedef real t_propfunc(int nx,real x[]);
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* And Hey:
* Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include "typedefs.h"
#include "smalloc.h"
#include "copyrite.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* And Hey:
* Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include "sysstuff.h"
#include "string.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* And Hey:
* Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <stdio.h>
#include <string.h>
#include <stdlib.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* And Hey:
* Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include "typedefs.h"
#define FLAG_DOTS 01
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* And Hey:
* Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include "typedefs.h"
#include "maths.h"
#include "string2.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* And Hey:
* Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include "typedefs.h"
#include "pinput.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* And Hey:
* Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include "paramio.h"
#include "pinput.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* And Hey:
* Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <stdio.h>
#include <math.h>
#include "typedefs.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* And Hey:
* Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <stdlib.h>
#include <math.h>
#include "typedefs.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
#ifndef _pp2shift_h
#define _pp2shift_h
-static char *SRCID_pp2shift_h = "$Id$";
#include "typedefs.h"
/* must correspond with 'leg' g_chi.c:727 */
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* And Hey:
* Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include "typedefs.h"
#include "maths.h"
#include "string2.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* And Hey:
* Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include "typedefs.h"
#include "vec.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* And Hey:
* Green Red Orange Magenta Azure Cyan Skyblue
*/
-
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 *
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* And Hey:
* Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include "readev.h"
#include "futil.h"
#include "smalloc.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* And Hey:
* Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include "typedefs.h"
#ifndef _readev_h
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* And Hey:
* Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include "recomb.h"
#include "futil.h"
#include "wgms.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* And Hey:
* Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include "assert.h"
#include "cdist.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* And Hey:
* Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <string.h>
#include "sysstuff.h"
#include "matio.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* And Hey:
* Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include "cdist.h"
#define NMRLEN 99.9
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* And Hey:
* Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include "typedefs.h"
#include "xvgr.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
- * Glycine aRginine prOline Methionine Alanine Cystine Serine
+ * Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <string.h>
#include <math.h>
#include "macros.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* And Hey:
* Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* And Hey:
* Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include <string.h>
#include "statutil.h"
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* And Hey:
* Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include <stdio.h>
#include <stdlib.h>
*
* GROningen MAchine for Chemical Simulations
*
- * VERSION 3.1
- * Copyright (c) 1991-2001, University of Groningen, The Netherlands
+ * VERSION 3.2.0
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2004, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* And Hey:
* Green Red Orange Magenta Azure Cyan Skyblue
*/
-
#include <math.h>
#include "string2.h"
#include "copyrite.h"