X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Fgmxana%2Fgmx_saltbr.c;h=47b3e6cca7da83a2173b726647833137fbacc006;hb=b2b75d45c43c98cf1362e0125381bfc6f0a85782;hp=23381e2db7486788b0280b27f19b22085d2378f3;hpb=cb466e44535ac45f2ee8341dcae39207b5813abe;p=alexxy%2Fgromacs.git diff --git a/src/gromacs/gmxana/gmx_saltbr.c b/src/gromacs/gmxana/gmx_saltbr.c index 23381e2db7..47b3e6cca7 100644 --- a/src/gromacs/gmxana/gmx_saltbr.c +++ b/src/gromacs/gmxana/gmx_saltbr.c @@ -150,7 +150,7 @@ int gmx_saltbr(int argc, char *argv[]) }; t_filenm fnm[] = { { efTRX, "-f", NULL, ffREAD }, - { efTPX, NULL, NULL, ffREAD }, + { efTPR, NULL, NULL, ffREAD }, }; #define NFILE asize(fnm) @@ -190,7 +190,7 @@ int gmx_saltbr(int argc, char *argv[]) return 0; } - top = read_top(ftp2fn(efTPX, NFILE, fnm), &ePBC); + top = read_top(ftp2fn(efTPR, NFILE, fnm), &ePBC); cg = mk_charge(&top->atoms, &(top->cgs), &ncg); snew(cgdist, ncg); snew(nWithin, ncg);