Here, we analyze the success of docking, standard MD and BLUES at recovering crystallographic binding modes for a series of 12 ligands which have a total of 29 binding modes between them. In our analysis, we consider data only from docked poses or binding modes sampled during our simulations which are in the correct sub-cavity. That is, if the crystallographic structure was found in the right sub-cavity, we computed the RMSD using docked poses or simulation frames that were only in the right sub-cavity (and vice versa). In this study, we consider predictions successful when they are within 2Å of the crystallographic binding mode and we label predictions "close" when they are within 4Å .