X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Fgmxpreprocess%2Fgrompp.c;h=7e32feb2f6d1e0ee545ce072a2e499068ee3fbfd;hb=b2b75d45c43c98cf1362e0125381bfc6f0a85782;hp=d8cde70d4e26046e4926941803f633eec6f92d59;hpb=cb466e44535ac45f2ee8341dcae39207b5813abe;p=alexxy%2Fgromacs.git diff --git a/src/gromacs/gmxpreprocess/grompp.c b/src/gromacs/gmxpreprocess/grompp.c index d8cde70d4e..7e32feb2f6 100644 --- a/src/gromacs/gmxpreprocess/grompp.c +++ b/src/gromacs/gmxpreprocess/grompp.c @@ -1534,7 +1534,7 @@ int gmx_grompp(int argc, char *argv[]) { efNDX, NULL, NULL, ffOPTRD }, { efTOP, NULL, NULL, ffREAD }, { efTOP, "-pp", "processed", ffOPTWR }, - { efTPX, "-o", NULL, ffWRITE }, + { efTPR, "-o", NULL, ffWRITE }, { efTRN, "-t", NULL, ffOPTRD }, { efEDR, "-e", NULL, ffOPTRD }, /* This group is needed by the VMD viewer as the start configuration for IMD sessions: */ @@ -2083,7 +2083,7 @@ int gmx_grompp(int argc, char *argv[]) } done_warning(wi, FARGS); - write_tpx_state(ftp2fn(efTPX, NFILE, fnm), ir, &state, sys); + write_tpx_state(ftp2fn(efTPR, NFILE, fnm), ir, &state, sys); /* Output IMD group, if bIMD is TRUE */ write_IMDgroup_to_file(ir->bIMD, ir, &state, sys, NFILE, fnm);