X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Fgmxana%2Fgmx_dipoles.cpp;h=68e338fe04be79a85f0791000612763be85e6277;hb=b2b75d45c43c98cf1362e0125381bfc6f0a85782;hp=569954d341f676fd0911662054a20ba1a7fe34a9;hpb=cb466e44535ac45f2ee8341dcae39207b5813abe;p=alexxy%2Fgromacs.git diff --git a/src/gromacs/gmxana/gmx_dipoles.cpp b/src/gromacs/gmxana/gmx_dipoles.cpp index 569954d341..68e338fe04 100644 --- a/src/gromacs/gmxana/gmx_dipoles.cpp +++ b/src/gromacs/gmxana/gmx_dipoles.cpp @@ -1590,7 +1590,7 @@ int gmx_dipoles(int argc, char *argv[]) t_filenm fnm[] = { { efEDR, "-en", NULL, ffOPTRD }, { efTRX, "-f", NULL, ffREAD }, - { efTPX, NULL, NULL, ffREAD }, + { efTPR, NULL, NULL, ffREAD }, { efNDX, NULL, NULL, ffOPTRD }, { efXVG, "-o", "Mtot", ffWRITE }, { efXVG, "-eps", "epsilon", ffWRITE }, @@ -1664,7 +1664,7 @@ int gmx_dipoles(int argc, char *argv[]) } snew(top, 1); - ePBC = read_tpx_top(ftp2fn(efTPX, NFILE, fnm), NULL, box, + ePBC = read_tpx_top(ftp2fn(efTPR, NFILE, fnm), NULL, box, &natoms, NULL, NULL, NULL, top); snew(gnx, ncos);