X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Fgmxana%2Fgmx_density.c;h=43a3180d678f69ba5d2cdae8a48dcc3e29d3a9d2;hb=b2b75d45c43c98cf1362e0125381bfc6f0a85782;hp=4282430de0c8bd12af67f574d197d3dcc98f8464;hpb=cb466e44535ac45f2ee8341dcae39207b5813abe;p=alexxy%2Fgromacs.git diff --git a/src/gromacs/gmxana/gmx_density.c b/src/gromacs/gmxana/gmx_density.c index 4282430de0..43a3180d67 100644 --- a/src/gromacs/gmxana/gmx_density.c +++ b/src/gromacs/gmxana/gmx_density.c @@ -671,7 +671,7 @@ int gmx_density(int argc, char *argv[]) t_filenm fnm[] = { /* files for g_density */ { efTRX, "-f", NULL, ffREAD }, { efNDX, NULL, NULL, ffOPTRD }, - { efTPX, NULL, NULL, ffREAD }, + { efTPR, NULL, NULL, ffREAD }, { efDAT, "-ei", "electrons", ffOPTRD }, /* file with nr. of electrons */ { efXVG, "-o", "density", ffWRITE }, }; @@ -693,7 +693,7 @@ int gmx_density(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 */ if (dens_opt[0][0] == 'n') { for (i = 0; (i < top->atoms.nr); i++)