*/
#include "gmxpre.h"
-#include "config.h"
-
-#include "gromacs/legacyheaders/macros.h"
-#include "gstat.h"
-#include "gromacs/legacyheaders/viewit.h"
-#include "gromacs/pbcutil/pbc.h"
-#include "gromacs/topology/index.h"
+#include "gromacs/commandline/pargs.h"
#include "gromacs/fileio/tpxio.h"
#include "gromacs/fileio/trxio.h"
-#include "gromacs/math/units.h"
-#include "gmx_ana.h"
-
-#include "gromacs/commandline/pargs.h"
#include "gromacs/fileio/xvgr.h"
+#include "gromacs/gmxana/gmx_ana.h"
+#include "gromacs/gmxana/gstat.h"
+#include "gromacs/legacyheaders/macros.h"
+#include "gromacs/legacyheaders/viewit.h"
+#include "gromacs/math/units.h"
#include "gromacs/math/vec.h"
+#include "gromacs/pbcutil/pbc.h"
#include "gromacs/pbcutil/rmpbc.h"
+#include "gromacs/topology/index.h"
#include "gromacs/utility/fatalerror.h"
#include "gromacs/utility/smalloc.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)
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 */