added gromacs file headers to the OpenMM-related files

diff --git a/src/kernel/gmx_gpu_utils/gmx_gpu_utils.cu b/src/kernel/gmx_gpu_utils/gmx_gpu_utils.cu
index 8d2b4681e4ce4c54be91044c1aeb4e03bf00c743..1efd1ca14aab1febe893f8aff5056238223242e9 100644 (file)
--- a/src/kernel/gmx_gpu_utils/gmx_gpu_utils.cu
+++ b/src/kernel/gmx_gpu_utils/gmx_gpu_utils.cu
@@ -1,3 +1,38 @@
+/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*-
+ *
+ * 
+ *                This source code is part of
+ * 
+ *                 G   R   O   M   A   C   S
+ * 
+ *          GROningen MAchine for Chemical Simulations
+ * 
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2010, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the 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 <stdio.h>
 #include <stdlib.h>
 

diff --git a/src/kernel/gmx_gpu_utils/gmx_gpu_utils.h b/src/kernel/gmx_gpu_utils/gmx_gpu_utils.h
index 86e686c7462c8d52d7f0f57e48c838deb601df33..76070804eafe41f3ddeec2e56a8277cdd6831454 100644 (file)
--- a/src/kernel/gmx_gpu_utils/gmx_gpu_utils.h
+++ b/src/kernel/gmx_gpu_utils/gmx_gpu_utils.h
@@ -1,3 +1,38 @@
+/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*-
+ *
+ * 
+ *                This source code is part of
+ * 
+ *                 G   R   O   M   A   C   S
+ * 
+ *          GROningen MAchine for Chemical Simulations
+ * 
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2010, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the 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
+ */
+
 #ifndef _GMX_GPU_UTILS_H_
 #define _GMX_GPU_UTILS_H_
 

diff --git a/src/kernel/md_openmm.c b/src/kernel/md_openmm.c
index c356766c98fdc02aaa20b129863d03f5a228e4bf..a47dee4a4fa7c4aa7f8ab2457d3546a86716f8e4 100644 (file)
--- a/src/kernel/md_openmm.c
+++ b/src/kernel/md_openmm.c
@@ -1,3 +1,38 @@
+/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*-
+ *
+ * 
+ *                This source code is part of
+ * 
+ *                 G   R   O   M   A   C   S
+ * 
+ *          GROningen MAchine for Chemical Simulations
+ * 
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2010, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the 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
+ */
+
 #ifdef HAVE_CONFIG_H
 #include <config.h>
 #endif

diff --git a/src/kernel/md_openmm.h b/src/kernel/md_openmm.h
index 31c7f4e36103e857cfd26e44dce7c0687ccbef7c..b8c80e0055dc78a107d9b9556c5499b27665dcd6 100644 (file)
--- a/src/kernel/md_openmm.h
+++ b/src/kernel/md_openmm.h
@@ -1,3 +1,37 @@
+/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*-
+ *
+ * 
+ *                This source code is part of
+ * 
+ *                 G   R   O   M   A   C   S
+ * 
+ *          GROningen MAchine for Chemical Simulations
+ * 
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2010, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the 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
+ */
 #ifndef _MD_OPENMM_H
 #define _MD_OPENMM_H
 

diff --git a/src/kernel/openmm_wrapper.cpp b/src/kernel/openmm_wrapper.cpp
index 7684a5333cfdb07d418cd8f01720d03dec3cd090..ba78c5b3f54ab0e62ebb15c6ddef20d7ae5b5420 100644 (file)
--- a/src/kernel/openmm_wrapper.cpp
+++ b/src/kernel/openmm_wrapper.cpp
@@ -1,3 +1,44 @@
+/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*-
+ *
+ * 
+ *                This source code is part of
+ * 
+ *                 G   R   O   M   A   C   S
+ * 
+ *          GROningen MAchine for Chemical Simulations
+ * 
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2010, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the 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
+ */
+
+/*
+ * Note that parts of this source code originate from the Simtk release 
+ * of OpenMM accelerated Gromacs, for more details see: 
+ * https://simtk.org/project/xml/downloads.xml?group_id=161#package_id600
+ */
+
 #include <cmath>
 #include <set>
 #include <iostream>

diff --git a/src/kernel/openmm_wrapper.h b/src/kernel/openmm_wrapper.h
index 8a0ec94cf391d81330877c48fd356a9f2213a155..5980d224d018f601ee139fec5a20e4503c9c17e0 100644 (file)
--- a/src/kernel/openmm_wrapper.h
+++ b/src/kernel/openmm_wrapper.h
@@ -1,3 +1,38 @@
+/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*-
+ *
+ * 
+ *                This source code is part of
+ * 
+ *                 G   R   O   M   A   C   S
+ * 
+ *          GROningen MAchine for Chemical Simulations
+ * 
+ * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ * Copyright (c) 2001-2010, The GROMACS development team,
+ * check out http://www.gromacs.org for more information.
+
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the 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
+ */
+
 #ifndef _OPENMM_WRAPPER_H_
 #define _OPENMM_WRAPPER_H_