Here, we employ the recently developed QUantum mechanical BEspoke (QUBE) force field, which can be generated using QUBEKit, 29 a toolkit designed for automating the determination of molecule-specific all-atom force field parameters from QM. The QUBE force field employs the same functional form as OPLS, and the derivation of all but the torsional parameters requires only a single QM optimisation of the molecule under study. In brief, QUBEKit derives the bond and angle parameters of a given molecule from the Hessian matrix of the QM optimised structure using the modified Seminario method, the charges and Lennard-Jones parameters from an atoms-in-molecule analysis of the electron density, and the torsional parameters by performing relaxed QM scans around the chosen dihedrals.