X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Fgmxana%2Fgmx_polystat.c;h=367c1c5ff643f7c17ac12ff55121178aa6f377dc;hb=b2b75d45c43c98cf1362e0125381bfc6f0a85782;hp=b98fdaf12aa890bfa9e4d7de20f5fe369a2362aa;hpb=cb466e44535ac45f2ee8341dcae39207b5813abe;p=alexxy%2Fgromacs.git diff --git a/src/gromacs/gmxana/gmx_polystat.c b/src/gromacs/gmxana/gmx_polystat.c index b98fdaf12a..367c1c5ff6 100644 --- a/src/gromacs/gmxana/gmx_polystat.c +++ b/src/gromacs/gmxana/gmx_polystat.c @@ -139,7 +139,7 @@ int gmx_polystat(int argc, char *argv[]) }; t_filenm fnm[] = { - { efTPX, NULL, NULL, ffREAD }, + { efTPR, NULL, NULL, ffREAD }, { efTRX, "-f", NULL, ffREAD }, { efNDX, NULL, NULL, ffOPTRD }, { efXVG, "-o", "polystat", ffWRITE }, @@ -184,7 +184,7 @@ int gmx_polystat(int argc, char *argv[]) } snew(top, 1); - ePBC = read_tpx_top(ftp2fn(efTPX, NFILE, fnm), + ePBC = read_tpx_top(ftp2fn(efTPR, NFILE, fnm), NULL, box, &natoms, NULL, NULL, NULL, top); fprintf(stderr, "Select a group of polymer mainchain atoms:\n");