/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2010,2011,2012,2013, by the GROMACS development team, led by
+ * Copyright (c) 2010,2011,2012,2013,2014, 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.
* To help us fund GROMACS development, we humbly ask that you cite
* the research papers on the package. Check out http://www.gromacs.org.
*/
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
+#include "gmxpre.h"
#include <signal.h>
#include <stdlib.h>
-#include "typedefs.h"
-#include "smalloc.h"
-#include "sysstuff.h"
-#include "vec.h"
-#include "macros.h"
-#include "main.h"
-#include "gromacs/fileio/futil.h"
-#include "edsam.h"
-#include "index.h"
-#include "physics.h"
-#include "names.h"
-#include "mtop_util.h"
+#include "gromacs/legacyheaders/typedefs.h"
+#include "gromacs/legacyheaders/types/commrec.h"
+#include "gromacs/utility/smalloc.h"
+#include "gromacs/math/vec.h"
+#include "gromacs/legacyheaders/macros.h"
+#include "gromacs/utility/futil.h"
+#include "gromacs/essentialdynamics/edsam.h"
+#include "gromacs/topology/index.h"
+#include "gromacs/legacyheaders/names.h"
+#include "gromacs/topology/mtop_util.h"
#include "gromacs/fileio/tpxio.h"
-#include "string2.h"
+#include "gromacs/utility/cstringutil.h"
#include "membed.h"
-#include "pbc.h"
-#include "readinp.h"
-#include "readir.h"
+#include "gromacs/pbcutil/pbc.h"
+#include "gromacs/legacyheaders/readinp.h"
+#include "gromacs/gmxpreprocess/readir.h"
/* information about scaling center */
typedef struct {
char buf[STRLEN], buf2[STRLEN], *temp;
int i, *nmol_rm, nmol, line;
- fpin = ffopen(topfile, "r");
- fpout = ffopen(TEMP_FILENM, "w");
+ fpin = gmx_ffopen(topfile, "r");
+ fpout = gmx_ffopen(TEMP_FILENM, "w");
snew(nmol_rm, mtop->nmoltype);
for (i = 0; i < rm_p->nr; i++)
}
}
- ffclose(fpout);
- /* use ffopen to generate backup of topinout */
- fpout = ffopen(topfile, "w");
- ffclose(fpout);
+ gmx_ffclose(fpout);
+ /* use gmx_ffopen to generate backup of topinout */
+ fpout = gmx_ffopen(topfile, "w");
+ gmx_ffclose(fpout);
rename(TEMP_FILENM, topfile);
#undef TEMP_FILENM
}