diff --git a/src/gromacs/gmxana/gmx_shscorr.c b/src/gromacs/gmxana/gmx_shscorr.c index cfb5473..2274310 100755 --- a/src/gromacs/gmxana/gmx_shscorr.c +++ b/src/gromacs/gmxana/gmx_shscorr.c @@ -675,12 +675,10 @@ static void do_shscorr(t_topology *top, const char *fnTRX, } } } -// fprintf(stderr,"%f\n",beta_lab[rr][i]); rr++; } } } -// exit(0); } else { // For each molecule, rotate the molecular hyperpolarizability tensor into the lab frame (later on,