X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Fgmxana%2Fgmx_nmeig.c;h=519f44a3bfe3d5ca8de21d2c2b214cd9a302d77e;hb=b2b75d45c43c98cf1362e0125381bfc6f0a85782;hp=63fb24daa3ae8ce676c06f4804c5253e5f518517;hpb=cb466e44535ac45f2ee8341dcae39207b5813abe;p=alexxy%2Fgromacs.git diff --git a/src/gromacs/gmxana/gmx_nmeig.c b/src/gromacs/gmxana/gmx_nmeig.c index 63fb24daa3..519f44a3bf 100644 --- a/src/gromacs/gmxana/gmx_nmeig.c +++ b/src/gromacs/gmxana/gmx_nmeig.c @@ -344,7 +344,7 @@ int gmx_nmeig(int argc, char *argv[]) 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 }, @@ -360,10 +360,10 @@ int gmx_nmeig(int argc, char *argv[]) } /* 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) {