X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Fgmxana%2Fgmx_hbond.c;h=c226bed5bf4a732f59c03255958526c1742167e4;hb=b2b75d45c43c98cf1362e0125381bfc6f0a85782;hp=53fe4fac9a0fdf53040fb82a8f918a6a45b9e750;hpb=cb466e44535ac45f2ee8341dcae39207b5813abe;p=alexxy%2Fgromacs.git diff --git a/src/gromacs/gmxana/gmx_hbond.c b/src/gromacs/gmxana/gmx_hbond.c index 53fe4fac9a..c226bed5bf 100644 --- a/src/gromacs/gmxana/gmx_hbond.c +++ b/src/gromacs/gmxana/gmx_hbond.c @@ -3637,7 +3637,7 @@ int gmx_hbond(int argc, char *argv[]) }; t_filenm fnm[] = { { efTRX, "-f", NULL, ffREAD }, - { efTPX, NULL, NULL, ffREAD }, + { efTPR, NULL, NULL, ffREAD }, { efNDX, NULL, NULL, ffOPTRD }, /* { efNDX, "-sel", "select", ffOPTRD },*/ { efXVG, "-num", "hbnum", ffWRITE }, @@ -3822,7 +3822,7 @@ int gmx_hbond(int argc, char *argv[]) hb = mk_hbdata(bHBmap, opt2bSet("-dan", NFILE, fnm), bMerge || bContact, bGem, gemmode); /* get topology */ - read_tpx_top(ftp2fn(efTPX, NFILE, fnm), &ir, box, &natoms, NULL, NULL, NULL, &top); + read_tpx_top(ftp2fn(efTPR, NFILE, fnm), &ir, box, &natoms, NULL, NULL, NULL, &top); snew(grpnames, grNR); snew(index, grNR);