X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Fgmxana%2Fgmx_rotacf.c;h=0895c01bb259b86b11552e2b88642f98908680d4;hb=b2b75d45c43c98cf1362e0125381bfc6f0a85782;hp=18f4f33a9da629f33fdda01477d8d51e24d3dd45;hpb=cb466e44535ac45f2ee8341dcae39207b5813abe;p=alexxy%2Fgromacs.git diff --git a/src/gromacs/gmxana/gmx_rotacf.c b/src/gromacs/gmxana/gmx_rotacf.c index 18f4f33a9d..0895c01bb2 100644 --- a/src/gromacs/gmxana/gmx_rotacf.c +++ b/src/gromacs/gmxana/gmx_rotacf.c @@ -100,7 +100,7 @@ int gmx_rotacf(int argc, char *argv[]) int ePBC; t_filenm fnm[] = { { efTRX, "-f", NULL, ffREAD }, - { efTPX, NULL, NULL, ffREAD }, + { efTPR, NULL, NULL, ffREAD }, { efNDX, NULL, NULL, ffREAD }, { efXVG, "-o", "rotacf", ffWRITE } }; @@ -141,7 +141,7 @@ int gmx_rotacf(int argc, char *argv[]) "these can not be atom doublets\n"); } - top = read_top(ftp2fn(efTPX, NFILE, fnm), &ePBC); + top = read_top(ftp2fn(efTPR, NFILE, fnm), &ePBC); snew(c1, nvec); for (i = 0; (i < nvec); i++)