X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Fgmxana%2Fgmx_disre.c;h=d7e1dd8af8e04a5a8ab76444975d9f3908da4a0f;hb=b2b75d45c43c98cf1362e0125381bfc6f0a85782;hp=4852d3616ba03fcde44ebb91a254eba76594768f;hpb=cb466e44535ac45f2ee8341dcae39207b5813abe;p=alexxy%2Fgromacs.git diff --git a/src/gromacs/gmxana/gmx_disre.c b/src/gromacs/gmxana/gmx_disre.c index 4852d3616b..d7e1dd8af8 100644 --- a/src/gromacs/gmxana/gmx_disre.c +++ b/src/gromacs/gmxana/gmx_disre.c @@ -717,7 +717,7 @@ int gmx_disre(int argc, char *argv[]) gmx_rmpbc_t gpbc = NULL; t_filenm fnm[] = { - { efTPX, NULL, NULL, ffREAD }, + { efTPR, NULL, NULL, ffREAD }, { efTRX, "-f", NULL, ffREAD }, { efXVG, "-ds", "drsum", ffWRITE }, { efXVG, "-da", "draver", ffWRITE }, @@ -745,9 +745,9 @@ int gmx_disre(int argc, char *argv[]) init5(ntop); } - read_tpxheader(ftp2fn(efTPX, NFILE, fnm), &header, FALSE, NULL, NULL); + read_tpxheader(ftp2fn(efTPR, NFILE, fnm), &header, FALSE, NULL, NULL); snew(xtop, header.natoms); - read_tpx(ftp2fn(efTPX, NFILE, fnm), &ir, box, &ntopatoms, xtop, NULL, NULL, &mtop); + read_tpx(ftp2fn(efTPR, NFILE, fnm), &ir, box, &ntopatoms, xtop, NULL, NULL, &mtop); bPDB = opt2bSet("-q", NFILE, fnm); if (bPDB) {