This allows us to highlight molecules which were treated differently by only one force field, potentially indicating problems in the force field's parameters for the represented chemistries of the molecule. We called this set the "Individually Different" set for that force field. For example, the molecules identified in this scheme for SMIRNOFF99Frosst were added to the "Individually Different SMIRNOFF" ( ) set. This latter analysis is probably most relevant to the SMIRNOFF force field, as GAFF/GAFF2 and MMFF94/MMFF94S come in families which would reduce the number of cases meeting these criteria if intra-family similarity is high -specifically, if both family members treat a molecule consistently, it will not be flagged as "individually different" for that force field.