For 3-iodotoluene, our comparison focuses just on acceptance of MC and NCMC move proposals given a fixed ensemble of MD snapshots as a starting point, and we find that the acceptance rate of standard MC is (1.2±0.2)⇥10 2 % while for NCMC, it is 0.8±0.1%. Thus, standard MC results in an order of magnitude lower acceptance for 3-iodotoluene than toluene, meaning that standard MC is closer to NCMC's performance on 3-iodotoluene rather than outperforming it (in terms of acceptance rate) as in the case of toluene.