* 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 <math.h>
+#include <stdlib.h>
#include <string.h>
+
#include "gromacs/commandline/pargs.h"
-#include "sysstuff.h"
-#include "typedefs.h"
+#include "gromacs/legacyheaders/typedefs.h"
#include "gromacs/utility/smalloc.h"
-#include "macros.h"
-#include "vec.h"
-#include "pbc.h"
-#include "gromacs/fileio/futil.h"
-#include "index.h"
-#include "mshift.h"
-#include "xvgr.h"
+#include "gromacs/legacyheaders/macros.h"
+#include "gromacs/math/vec.h"
+#include "gromacs/utility/futil.h"
+#include "gromacs/topology/index.h"
+#include "gromacs/fileio/xvgr.h"
+#include "gromacs/legacyheaders/viewit.h"
#include "gromacs/fileio/tpxio.h"
#include "gromacs/fileio/trxio.h"
-#include "rmpbc.h"
-#include "physics.h"
+#include "gromacs/pbcutil/rmpbc.h"
+#include "gromacs/math/units.h"
#include "gromacs/fileio/confio.h"
#include "gmx_ana.h"
#include "gromacs/linearalgebra/nrjac.h"
-#include "gmx_fatal.h"
+#include "gromacs/utility/fatalerror.h"
static void low_print_data(FILE *fp, real time, rvec x[], int n, atom_id *index,
gmx_bool bDim[], const char *sffmt)
{ efTRX, "-f", NULL, ffREAD },
{ efTPS, NULL, NULL, ffREAD },
{ efNDX, NULL, NULL, ffOPTRD },
- { efXVG, "-ox", "coord.xvg", ffOPTWR },
- { efTRX, "-oxt", "coord.xtc", ffOPTWR },
- { efXVG, "-ov", "veloc.xvg", ffOPTWR },
- { efXVG, "-of", "force.xvg", ffOPTWR },
- { efXVG, "-ob", "box.xvg", ffOPTWR },
- { efXVG, "-ot", "temp.xvg", ffOPTWR },
- { efXVG, "-ekt", "ektrans.xvg", ffOPTWR },
- { efXVG, "-ekr", "ekrot.xvg", ffOPTWR },
- { efXVG, "-vd", "veldist.xvg", ffOPTWR },
- { efPDB, "-cv", "veloc.pdb", ffOPTWR },
- { efPDB, "-cf", "force.pdb", ffOPTWR },
- { efXVG, "-av", "all_veloc.xvg", ffOPTWR },
- { efXVG, "-af", "all_force.xvg", ffOPTWR }
+ { efXVG, "-ox", "coord", ffOPTWR },
+ { efTRX, "-oxt", "coord", ffOPTWR },
+ { efXVG, "-ov", "veloc", ffOPTWR },
+ { efXVG, "-of", "force", ffOPTWR },
+ { efXVG, "-ob", "box", ffOPTWR },
+ { efXVG, "-ot", "temp", ffOPTWR },
+ { efXVG, "-ekt", "ektrans", ffOPTWR },
+ { efXVG, "-ekr", "ekrot", ffOPTWR },
+ { efXVG, "-vd", "veldist", ffOPTWR },
+ { efPDB, "-cv", "veloc", ffOPTWR },
+ { efPDB, "-cf", "force", ffOPTWR },
+ { efXVG, "-av", "all_veloc", ffOPTWR },
+ { efXVG, "-af", "all_force", ffOPTWR }
};
#define NFILE asize(fnm)
if (!parse_common_args(&argc, argv,
- PCA_CAN_TIME | PCA_TIME_UNIT | PCA_CAN_VIEW | PCA_BE_NICE,
+ PCA_CAN_TIME | PCA_TIME_UNIT | PCA_CAN_VIEW,
NFILE, fnm, asize(pa), pa, asize(desc), desc, 0, NULL, &oenv))
{
return 0;