* 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 "macros.h"
+#include "gromacs/legacyheaders/macros.h"
#include "gstat.h"
-#include "viewit.h"
-#include "pbc.h"
-#include "index.h"
+#include "gromacs/legacyheaders/viewit.h"
+#include "gromacs/pbcutil/pbc.h"
+#include "gromacs/topology/index.h"
#include "gromacs/fileio/tpxio.h"
#include "gromacs/fileio/trxio.h"
#include "gromacs/math/units.h"
t_filenm fnm[] = {
{ efTRX, NULL, NULL, ffREAD },
- { efTPX, NULL, NULL, ffREAD },
+ { efTPR, NULL, NULL, ffREAD },
{ efNDX, NULL, NULL, ffOPTRD },
- { efXVG, NULL, "scdist.xvg", ffWRITE }
+ { efXVG, NULL, "scdist", ffWRITE }
};
#define NFILE asize(fnm)
- if (!parse_common_args(&argc, argv, PCA_CAN_TIME | PCA_CAN_VIEW | PCA_BE_NICE,
+ if (!parse_common_args(&argc, argv, PCA_CAN_TIME | PCA_CAN_VIEW,
NFILE, fnm, asize(pa), pa, asize(desc), desc, 0, NULL, &oenv))
{
return 0;
snew(top, 1);
snew(ir, 1);
- read_tpx_top(ftp2fn(efTPX, NFILE, fnm),
+ read_tpx_top(ftp2fn(efTPR, NFILE, fnm),
ir, box, &natoms, NULL, NULL, NULL, top);
/* get index groups */