X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Fgmxana%2Fgmx_densorder.cpp;h=5d8a8d9bb16a67e4226cdee03ce8964541d10bb2;hb=b2b75d45c43c98cf1362e0125381bfc6f0a85782;hp=79c9e68a11d717f66303fca84f06d02f018fd4d7;hpb=cb466e44535ac45f2ee8341dcae39207b5813abe;p=alexxy%2Fgromacs.git diff --git a/src/gromacs/gmxana/gmx_densorder.cpp b/src/gromacs/gmxana/gmx_densorder.cpp index 79c9e68a11..5d8a8d9bb1 100644 --- a/src/gromacs/gmxana/gmx_densorder.cpp +++ b/src/gromacs/gmxana/gmx_densorder.cpp @@ -726,7 +726,7 @@ int gmx_densorder(int argc, char *argv[]) t_filenm fnm[] = { - { efTPX, "-s", NULL, ffREAD }, /* this is for the topology */ + { efTPR, "-s", NULL, ffREAD }, /* this is for the topology */ { efTRX, "-f", NULL, ffREAD }, /* and this for the trajectory */ { efNDX, "-n", NULL, ffREAD}, /* this is to select groups */ { efDAT, "-o", "Density4D", ffOPTWR}, /* This is for outputting the entire 4D densityfield in binary format */ @@ -751,7 +751,7 @@ int gmx_densorder(int argc, char *argv[]) bRawOut = opt2bSet("-or", NFILE, fnm); bGraph = opt2bSet("-og", NFILE, fnm); bOut = opt2bSet("-o", NFILE, fnm); - top = read_top(ftp2fn(efTPX, NFILE, fnm), &ePBC); + top = read_top(ftp2fn(efTPR, NFILE, fnm), &ePBC); snew(grpname, 1); snew(index, 1); snew(ngx, 1);