Two alternative consensus approaches were calculated, which are only presented in the Supplementary Information. The first one was obtained from an average over GAFF2.1x and OpenFF2.0 (referred to as "Consensus (OFF, GAFF)"), while the second one was obtained as an average over GAFF2.1x, OpenFF2.0, CGenFF/MATCH* and OPLS3e (referred to as "Consensus (all)").