* 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 <string.h>
-#include "typedefs.h"
-#include "macros.h"
-#include "pbc.h"
-#include "copyrite.h"
+#include "gromacs/legacyheaders/typedefs.h"
+#include "gromacs/legacyheaders/macros.h"
+#include "gromacs/legacyheaders/copyrite.h"
#include "gromacs/utility/futil.h"
-#include "index.h"
-#include "mshift.h"
#include "gstat.h"
-#include "txtdump.h"
+#include "gromacs/legacyheaders/txtdump.h"
#include "eigio.h"
-#include "mtop_util.h"
+#include "gromacs/topology/mtop_util.h"
#include "gromacs/math/units.h"
#include "gmx_ana.h"
t_filenm fnm[] = {
{ efMTX, "-f", "hessian", ffREAD },
- { efTPX, NULL, NULL, ffREAD },
+ { efTPR, NULL, NULL, ffREAD },
{ efXVG, "-of", "eigenfreq", ffWRITE },
{ efXVG, "-ol", "eigenval", ffWRITE },
{ efXVG, "-os", "spectrum", ffOPTWR },
};
#define NFILE asize(fnm)
- if (!parse_common_args(&argc, argv, PCA_BE_NICE,
+ if (!parse_common_args(&argc, argv, 0,
NFILE, fnm, asize(pa), pa, asize(desc), desc, 0, NULL, &oenv))
{
return 0;
}
/* Read tpr file for volume and number of harmonic terms */
- read_tpxheader(ftp2fn(efTPX, NFILE, fnm), &tpx, TRUE, &version, &generation);
+ read_tpxheader(ftp2fn(efTPR, NFILE, fnm), &tpx, TRUE, &version, &generation);
snew(top_x, tpx.natoms);
- read_tpx(ftp2fn(efTPX, NFILE, fnm), NULL, box, &natoms,
+ read_tpx(ftp2fn(efTPR, NFILE, fnm), NULL, box, &natoms,
top_x, NULL, NULL, &mtop);
if (bCons)
{