* 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 "nrama.h"
#include <math.h>
#include <stdlib.h>
-#include "nrama.h"
-#include "gromacs/utility/smalloc.h"
-#include "typedefs.h"
-#include "bondf.h"
-#include "gromacs/utility/futil.h"
-#include "gromacs/utility/fatalerror.h"
+#include "gromacs/bonded/bonded.h"
#include "gromacs/pbcutil/rmpbc.h"
+#include "gromacs/utility/fatalerror.h"
+#include "gromacs/utility/futil.h"
+#include "gromacs/utility/smalloc.h"
static const char *pp_pat[] = { "C", "N", "CA", "C", "N" };
#define NPP (sizeof(pp_pat)/sizeof(pp_pat[0]))
xr->pp[xr->npp].bShow = FALSE;
sprintf(buf, "%s-%d", *atoms->resinfo[atoms->atom[ff[1]].resind].name,
atoms->resinfo[atoms->atom[ff[1]].resind].nr);
- xr->pp[xr->npp].label = strdup(buf);
+ xr->pp[xr->npp].label = gmx_strdup(buf);
xr->npp++;
}