*/
#include "gmxpre.h"
-#include "config.h"
-
#include <math.h>
-#include "gromacs/legacyheaders/typedefs.h"
-#include "gromacs/utility/smalloc.h"
+
#include "gromacs/commandline/pargs.h"
+#include "gromacs/fileio/trxio.h"
#include "gromacs/legacyheaders/macros.h"
-#include "gromacs/utility/futil.h"
+#include "gromacs/legacyheaders/typedefs.h"
#include "gromacs/utility/fatalerror.h"
-#include "gromacs/fileio/trxio.h"
+#include "gromacs/utility/futil.h"
+#include "gromacs/utility/smalloc.h"
static int calc_ntype(int nft, int *ft, t_idef *idef)
{
int *nr;
char **grpnames;
t_filenm fnm[] = {
- { efTPX, NULL, NULL, ffREAD },
+ { efTPR, NULL, NULL, ffREAD },
{ efNDX, NULL, "angle", ffWRITE }
};
#define NFILE asize(fnm)
ft = select_ftype(opt[0], &nft, &mult);
- top = read_top(ftp2fn(efTPX, NFILE, fnm), NULL);
+ top = read_top(ftp2fn(efTPR, NFILE, fnm), NULL);
ntype = calc_ntype(nft, ft, &(top->idef));
snew(grpnames, ntype);