X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Fgmxana%2Fgmx_rama.c;h=711bac7ecef0f4c535fda56af6d579694de6d8fc;hb=b2b75d45c43c98cf1362e0125381bfc6f0a85782;hp=f5db3dfada26f097ec0913d69e94354fc00d4810;hpb=cb466e44535ac45f2ee8341dcae39207b5813abe;p=alexxy%2Fgromacs.git diff --git a/src/gromacs/gmxana/gmx_rama.c b/src/gromacs/gmxana/gmx_rama.c index f5db3dfada..711bac7ece 100644 --- a/src/gromacs/gmxana/gmx_rama.c +++ b/src/gromacs/gmxana/gmx_rama.c @@ -80,7 +80,7 @@ int gmx_rama(int argc, char *argv[]) output_env_t oenv; t_filenm fnm[] = { { efTRX, "-f", NULL, ffREAD }, - { efTPX, NULL, NULL, ffREAD }, + { efTPR, NULL, NULL, ffREAD }, { efXVG, NULL, "rama", ffWRITE } }; #define NFILE asize(fnm) @@ -93,7 +93,7 @@ int gmx_rama(int argc, char *argv[]) snew(xr, 1); - init_rama(oenv, ftp2fn(efTRX, NFILE, fnm), ftp2fn(efTPX, NFILE, fnm), xr, 3); + init_rama(oenv, ftp2fn(efTRX, NFILE, fnm), ftp2fn(efTPR, NFILE, fnm), xr, 3); out = xvgropen(ftp2fn(efXVG, NFILE, fnm), "Ramachandran Plot", "Phi", "Psi", oenv); xvgr_line_props(out, 0, elNone, ecFrank, oenv);