/*
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
- *
- * G R O M A C S
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- * 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.
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- * check out http://www.gromacs.org for more information.
-
- * This program is free software; you can redistribute it and/or
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- * as published by the Free Software Foundation; either version 2
+ * Copyright (c) 2001-2004, The GROMACS development team.
+ * Copyright (c) 2013,2014, by the GROMACS development team, led by
+ * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
+ * and including many others, as listed in the AUTHORS file in the
+ * top-level source directory and at http://www.gromacs.org.
+ *
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+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
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*/
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
-
-#include "statutil.h"
-#include "smalloc.h"
-#include "macros.h"
-#include "confio.h"
-#include "xvgr.h"
-#include "index.h"
-#include "do_fit.h"
+#include "gmxpre.h"
+
+#include "gromacs/legacyheaders/macros.h"
+#include "gromacs/fileio/confio.h"
+#include "gromacs/legacyheaders/viewit.h"
+#include "gromacs/topology/index.h"
#include "gmx_ana.h"
-#include "gmx_fatal.h"
+#include "gromacs/fileio/trxio.h"
+#include "gromacs/commandline/pargs.h"
+#include "gromacs/fileio/xvgr.h"
+#include "gromacs/math/do_fit.h"
+#include "gromacs/topology/atoms.h"
+#include "gromacs/utility/fatalerror.h"
+#include "gromacs/utility/smalloc.h"
static real dointerp(int n, rvec x1[], rvec x2[], rvec xx[],
int I, int N, real first, real last)
int gmx_morph(int argc, char *argv[])
{
const char *desc[] = {
- "[TT]g_morph[tt] does a linear interpolation of conformations in order to",
+ "[THISMODULE] does a linear interpolation of conformations in order to",
"create intermediates. Of course these are completely unphysical, but",
"that you may try to justify yourself. Output is in the form of a ",
"generic trajectory. The number of intermediates can be controlled with",
if (bRMS)
{
- ffclose(fp);
+ gmx_ffclose(fp);
do_view(oenv, opt2fn("-or", NFILE, fnm), "-nxy");
}