We constructed a package called Binding modes of Ligands Using Enhanced Sampling (BLUES) to facilitate the use of NCMC to enhance ligand sampling. BLUES implements the approach outlined in Section 2.5.1 and switches between sampling the system via normal MD and NCMC alchemical perturbation. The BLUES package allows straightforward control of the number of MD steps between each NCMC move, the number of alchemical steps used within each NCMC move, and the total simulation time and number of MD/NCMC cycles.