We find that in cases where both methods are able to find the crystallographic binding mode quickly, MD has a tendency to not produce the expected populations. This is because when MD samples the crystallographic binding mode and then leaves, it has a tendency to not rediscover it (e.g 4XH, JF6, KJU). Ideally, if the crystallographic structure represents the most stable binding mode, both MD and BLUEs should populate that binding mode the most.