The list_of_atypes option can't be used as the parser expects either an ffatype level or the word 'list_of_atypes' instead of an actual list. https://github.com/molmod/QuickFF/blob/6af98ad800e25d4728cb75ddd91fbb81c5b51592/quickff/scripts.py#L64
The list_of_atypes option can't be used as the parser expects either an ffatype level or the word 'list_of_atypes' instead of an actual list.
QuickFF/quickff/scripts.py
Line 64 in 6af98ad