diff --git a/src/REACTION/fix_bond_react.cpp b/src/REACTION/fix_bond_react.cpp index a76d11630c..64452b0a53 100644 --- a/src/REACTION/fix_bond_react.cpp +++ b/src/REACTION/fix_bond_react.cpp @@ -3937,6 +3937,8 @@ void FixBondReact::CreateAtoms(char *line, int myrxn) sscanf(line,"%d",&tmp); create_atoms[tmp-1][myrxn] = 1; } + if (twomol->xflag == 0) + error->one(FLERR,"Fix bond/react: 'Coords' section required in post-reaction template when creating new atoms"); } void FixBondReact::CustomCharges(int ifragment, int myrxn)