X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Fgmxana%2Fgmx_potential.c;h=ba223b01ccf4640dca81995783c3895e053576a2;hb=b2b75d45c43c98cf1362e0125381bfc6f0a85782;hp=54ddc2ac8a87607c80fb415704a392891928fd7f;hpb=cb466e44535ac45f2ee8341dcae39207b5813abe;p=alexxy%2Fgromacs.git diff --git a/src/gromacs/gmxana/gmx_potential.c b/src/gromacs/gmxana/gmx_potential.c index 54ddc2ac8a..ba223b01cc 100644 --- a/src/gromacs/gmxana/gmx_potential.c +++ b/src/gromacs/gmxana/gmx_potential.c @@ -459,7 +459,7 @@ int gmx_potential(int argc, char *argv[]) t_filenm fnm[] = { /* files for g_order */ { efTRX, "-f", NULL, ffREAD }, /* trajectory file */ { efNDX, NULL, NULL, ffREAD }, /* index file */ - { efTPX, NULL, NULL, ffREAD }, /* topology file */ + { efTPR, NULL, NULL, ffREAD }, /* topology file */ { efXVG, "-o", "potential", ffWRITE }, /* xvgr output file */ { efXVG, "-oc", "charge", ffWRITE }, /* xvgr output file */ { efXVG, "-of", "field", ffWRITE }, /* xvgr output file */ @@ -477,7 +477,7 @@ int gmx_potential(int argc, char *argv[]) /* Calculate axis */ axis = toupper(axtitle[0]) - 'X'; - top = read_top(ftp2fn(efTPX, NFILE, fnm), &ePBC); /* read topology file */ + top = read_top(ftp2fn(efTPR, NFILE, fnm), &ePBC); /* read topology file */ snew(grpname, ngrps); snew(index, ngrps);