* 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 "pull_rotation.h"
+
+#include "config.h"
#include <stdio.h>
#include <stdlib.h>
#include <string.h>
-#include "domdec.h"
-#include "gromacs/utility/smalloc.h"
-#include "network.h"
-#include "pbc.h"
-#include "mdrun.h"
-#include "txtdump.h"
-#include "names.h"
-#include "mtop_util.h"
-#include "names.h"
-#include "vec.h"
-#include "gmx_ga2la.h"
-#include "xvgr.h"
-#include "copyrite.h"
-#include "macros.h"
-
-#include "gromacs/fileio/futil.h"
#include "gromacs/fileio/gmxfio.h"
#include "gromacs/fileio/trnio.h"
+#include "gromacs/fileio/xvgr.h"
+#include "gromacs/legacyheaders/copyrite.h"
+#include "gromacs/legacyheaders/domdec.h"
+#include "gromacs/legacyheaders/gmx_ga2la.h"
+#include "gromacs/legacyheaders/macros.h"
+#include "gromacs/legacyheaders/mdrun.h"
+#include "gromacs/legacyheaders/names.h"
+#include "gromacs/legacyheaders/network.h"
+#include "gromacs/legacyheaders/txtdump.h"
#include "gromacs/linearalgebra/nrjac.h"
+#include "gromacs/math/utilities.h"
+#include "gromacs/math/vec.h"
+#include "gromacs/mdlib/groupcoord.h"
+#include "gromacs/pbcutil/pbc.h"
#include "gromacs/timing/cyclecounter.h"
#include "gromacs/timing/wallcycle.h"
+#include "gromacs/topology/mtop_util.h"
+#include "gromacs/utility/futil.h"
#include "gromacs/utility/qsort_threadsafe.h"
-#include "gromacs/pulling/pull_rotation.h"
-#include "gromacs/mdlib/groupcoord.h"
-#include "gromacs/math/utilities.h"
+#include "gromacs/utility/smalloc.h"
static char *RotStr = {"Enforced rotation:"};
add_to_string_aligned(&LegendStr, buf);
sprintf(buf2, "%s (degrees)", buf);
- setname[nsets] = strdup(buf2);
+ setname[nsets] = gmx_strdup(buf2);
nsets++;
}
for (g = 0; g < rot->ngrp; g++)
}
add_to_string_aligned(&LegendStr, buf);
sprintf(buf2, "%s (degrees)", buf);
- setname[nsets] = strdup(buf2);
+ setname[nsets] = gmx_strdup(buf2);
nsets++;
sprintf(buf, "tau%d", g);
add_to_string_aligned(&LegendStr, buf);
sprintf(buf2, "%s (kJ/mol)", buf);
- setname[nsets] = strdup(buf2);
+ setname[nsets] = gmx_strdup(buf2);
nsets++;
sprintf(buf, "energy%d", g);
add_to_string_aligned(&LegendStr, buf);
sprintf(buf2, "%s (kJ/mol)", buf);
- setname[nsets] = strdup(buf2);
+ setname[nsets] = gmx_strdup(buf2);
nsets++;
}
fprintf(fp, "#\n");