Following fitting of the DE-FF non-bonded parameters, the force field was completed by fitting the valence (bond, angle and torsion) parameters against curated quantum chemistry reference data (Section 4.2). As expected, the changed treatment of the non-bonded interactions has little effect on the equilibrium bond lengths and force constants (Figures and) and equilibrium angles (Figure ). We do observe larger shifts of up to around 30% in the angle force constants (Figure ), but the combined effect of these changes with the torsion parameters will be evaluated in the next Section. set, Table reports the accuracy of the Sage and DE-FF force fields on a set of 671 torsion scans collected by fragmenting a set of 199 druglike molecules with diverse chemical moieties and a range of net charges . The same measures of force field accuracy are used as reported previously , namely a comparison between QM and MM optimised geometries and energetics. Perhaps surprisingly, given that we expect DE-FF to demonstrate more flexibility in the steepness of repulsive interactions as two atoms approach, the LJ-and DE-based methods perform identically, within statistical uncertainty. However, this is likely because the DE nonbonded parameters have not yet been trained on intramolecular energetics, and many details of the fit such as the initialised torsion parameters and treatment of 1-4 scaling are still "biased" towards LJ potentials. Further investigation of intramolecular energetics with the DE-FF and more flexibility in the fitting approach will likely be warranted. A full comparison between DE-FF and Sage conformational geometries and energetics for the standard Sage valence test set is shown in Figure and again reveals little difference between the two force fields.