Reverse logic to make gaff default over gaff2
@@ -1254,7 +1254,7 @@ class SetupDatabase:
charge_method = mol_descr['antechamber']['charge_method']
input_mol_path = os.path.abspath(mol_descr['filepath'])
# Use Gaff in parameters, otherwise default to gaff2
- gaff = 'gaff' if 'leaprc.gaff' in mol_descr['leap']['parameters'] else 'gaff2'
+ gaff = 'gaff2' if 'leaprc.gaff2' in mol_descr['leap']['parameters'] else 'gaff'
with moltools.utils.temporary_cd(mol_dir):
moltools.amber.run_antechamber(mol_id, input_mol_path,
charge_method=charge_method,
