diff --git a/src/MC/fix_gcmc.cpp b/src/MC/fix_gcmc.cpp index 73758e36285a5a89003ef5a47a0ffbb74d328d58..a83a7aaf6397887369822ae49a2e8fe197fc0dca 100644 --- a/src/MC/fix_gcmc.cpp +++ b/src/MC/fix_gcmc.cpp @@ -595,6 +595,9 @@ void FixGCMC::init() onemols[imol]->x[i][1] -= onemols[imol]->com[1]; onemols[imol]->x[i][2] -= onemols[imol]->com[2]; } + onemols[imol]->com[0] = 0; + onemols[imol]->com[1] = 0; + onemols[imol]->com[2] = 0; } else gas_mass = atom->mass[ngcmc_type];