The Transferable Potentials for Phase Equilibria (TraPPE) family of force fields is known for balancing accuracy and computational efficiency and for being applicable to a wide range of chemical compounds, state points, and thermophysical properties. With an increasing diversity of offerings (e.g., united-atom, explicit hydrogen, polarizable, and most recently, coarse-grained versions) and a growing user base, the TraPPE force field has reached a level of complexity that benefits from a centralized method of access to functional forms, parameters, simulated properties, and other resources to assist users in the successful implementation and continued use of these force fields. We present here the continuing development of a resource website and online searchable parameter and property database for the TraPPE family of force fields (http://www.chem.umn.edu/groups/siepmann/trappe/). New features and validation data will be highlighted.<br/>

Online parameter and property database for the TraPPE force field

249th National Meeting (2015)

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