* To help us fund GROMACS development, we humbly ask that you cite
* the research papers on the package. Check out http://www.gromacs.org.
*/
-#include "config.h"
+#include "gmxpre.h"
#include <math.h>
#include <string.h>
#include "gromacs/fileio/pdbio.h"
#include "gromacs/fileio/confio.h"
-#include "macros.h"
+#include "gromacs/legacyheaders/macros.h"
#include "gromacs/fileio/strdb.h"
#include "gromacs/topology/index.h"
-#include "typedefs.h"
+#include "gromacs/legacyheaders/typedefs.h"
#include "gromacs/gmxlib/conformation-utilities.h"
#include "gromacs/math/units.h"
#include "gromacs/fileio/tpxio.h"
#include "gromacs/fileio/trxio.h"
#include "princ.h"
-#include "txtdump.h"
-#include "viewit.h"
+#include "gromacs/legacyheaders/txtdump.h"
+#include "gromacs/legacyheaders/viewit.h"
#include "gmx_ana.h"
#include "gromacs/commandline/pargs.h"
gmx_fatal(FARGS, "Output file should be a .pdb file"
" when using the -grasp option\n");
}
- if ((bMead || bGrasp) && !((fn2ftp(infile) == efTPR) ||
- (fn2ftp(infile) == efTPA) ||
- (fn2ftp(infile) == efTPB)))
+ if ((bMead || bGrasp) && (fn2ftp(infile) != efTPR))
{
- gmx_fatal(FARGS, "Input file should be a .tp[abr] file"
+ gmx_fatal(FARGS, "Input file should be a .tpr file"
" when using the -mead option\n");
}