X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Fgmxana%2Fgmx_dos.c;h=07439151bc47948254d0bfb5265cf17923b82e28;hb=b2b75d45c43c98cf1362e0125381bfc6f0a85782;hp=e353d7a3e87c0b475ceceea777ebc2494ffb9f22;hpb=cb466e44535ac45f2ee8341dcae39207b5813abe;p=alexxy%2Fgromacs.git diff --git a/src/gromacs/gmxana/gmx_dos.c b/src/gromacs/gmxana/gmx_dos.c index e353d7a3e8..07439151bc 100644 --- a/src/gromacs/gmxana/gmx_dos.c +++ b/src/gromacs/gmxana/gmx_dos.c @@ -305,7 +305,7 @@ int gmx_dos(int argc, char *argv[]) t_filenm fnm[] = { { efTRN, "-f", NULL, ffREAD }, - { efTPX, "-s", NULL, ffREAD }, + { efTPR, "-s", NULL, ffREAD }, { efNDX, NULL, NULL, ffOPTRD }, { efXVG, "-vacf", "vacf", ffWRITE }, { efXVG, "-mvacf", "mvacf", ffWRITE }, @@ -342,7 +342,7 @@ int gmx_dos(int argc, char *argv[]) please_cite(fplog, "Pascal2011a"); please_cite(fplog, "Caleman2011b"); - read_tps_conf(ftp2fn(efTPX, NFILE, fnm), title, &top, &ePBC, NULL, NULL, box, + read_tps_conf(ftp2fn(efTPR, NFILE, fnm), title, &top, &ePBC, NULL, NULL, box, TRUE); V = det(box); tmass = 0;