diff --git a/rmgpy/molecule/group.py b/rmgpy/molecule/group.py index aa1e29385cc..e4088c540e4 100644 --- a/rmgpy/molecule/group.py +++ b/rmgpy/molecule/group.py @@ -2837,7 +2837,7 @@ def make_sample_molecule(self): 'S0sc', 'S2sc', 'S2dc', 'S2tc', 'S4sc', 'S4dc', 'S4tdc', 'S6sc', 'S6dc', 'S6tdc'] if group_atom.atomtype[0] in [ATOMTYPES[x] for x in positive_charged] and atom.charge > 0: pass - elif atom.charge in group_atom.charge: + elif atom.charge in group_atom.atomtype[0].charge: # declared charge in original group is same as new charge pass else: