The target system is part of the Wang benchmark series discussed in Case Study 1, and so the fragments of each of the 16 ligands have already been processed and reference scans are available in QCArchive . Once again, a BespokeFit optimization server was set up locally and the QCArchive torsion scans were downloaded using the cache update CLI tool. Each ligand was initially parametrized using OpenFF Parsley 1.3.0, and was further processed using the default BespokeFit parametrization workflow as outlined in the Computational Methods.