Many differing models of crystal energy have been proposed for use within this workflow , but almost all incorporate some form of force-field. Amongst other differences, the force-field parameterization is an important factor that distinguishes these models and influences their accuracy. Data used in obtaining force-field parameters may be system-specific or involve a range of systems . These data could be based on the analysis of entire crystals or of molecular-clusters and could be derived from computations or, in the case of whole-crystal data, it could come from experimental measurements . Given the importance of the force-field parameters in achieving meaningful results and the often incremental manner in which such parameters have been derived, it is valuable to investigate whether more appropriate parameters could be used. In the following sections, we begin by examining some of these models and the associated parameterization strategies, identifying limitations in the approaches used to date before proposing a new method to parameterize the force-field for a widely used CSP model.