From ede28cc1bfae3cde696243c08d557afdfd22878d Mon Sep 17 00:00:00 2001 From: Jacob Gissinger Date: Mon, 21 Sep 2020 12:01:40 -0400 Subject: [PATCH] bond/react:modify-create-correction --- src/USER-REACTION/fix_bond_react.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/USER-REACTION/fix_bond_react.cpp b/src/USER-REACTION/fix_bond_react.cpp index 93cf55000a..194f548632 100644 --- a/src/USER-REACTION/fix_bond_react.cpp +++ b/src/USER-REACTION/fix_bond_react.cpp @@ -387,7 +387,7 @@ FixBondReact::FixBondReact(LAMMPS *lmp, int narg, char **arg) : "'modify_create' has too few arguments"); if (strcmp(arg[iarg+1],"no") == 0) modify_create_fragid[rxn] = -1; //default else { - modify_create_fragid[rxn] = atom->molecules[unreacted_mol[rxn]]->findfragment(arg[iarg+1]); + modify_create_fragid[rxn] = atom->molecules[reacted_mol[rxn]]->findfragment(arg[iarg+1]); if (modify_create_fragid[rxn] < 0) error->one(FLERR,"Bond/react: Molecule fragment for " "'modify_create' keyword does not exist"); }