For these molecules which exhibit multiple crystallographic binding modes, MD was able to recover 11/22 (50%) of the crystallographic binding modes while BLUES was able to resolve 17/22 (77%). This doesn't suggest that BLUES is more successful in recovering crystallographic binding modes if there are multiple ones to identify. We generally observed that both MD and BLUES were able to stably sample at least 1 of the crystallographic binding modes, while only briefly sampling (or sampling close to) the second or third binding mode. Here, BLUES and MD result in equivalent performance as measured by how often the crystallographic binding mode matches the most populated binding mode. However, BLUES does do a better job transiently sampling the crystallographic binding mode even in those cases where MD does not discover it. Thus, BLUES is more successful at discovering crystallographic binding modes in general, which is not surprising given that it employs rotational moves to better explore possible binding modes. It is interesting that in some of these cases, BLUES discovers the crystallographic binding mode but stabilizes into an alternate nearby mode, potentially due to force field errors.