An online parameter and property database for the TraPPE force field

  title={An online parameter and property database for the TraPPE force field},
  author={Becky L Eggimann and Amara J. Sunnarborg and Hudson D. Stern and Andrew Bliss and J. I. Siepmann},
  journal={Molecular Simulation},
  pages={101 - 105}
  • Becky L Eggimann, Amara J. Sunnarborg, +2 authors J. I. Siepmann
  • Published 2014
  • Computer Science
  • Molecular Simulation
  • The transferable potentials for phase equilibria (TraPPE) force field aims to be accurate, computationally efficient and applicable to a wide range of chemical compounds, state points and thermophysical properties. When new users wish to implement TraPPE models into their chosen simulation program, they face several obstacles: the TraPPE models are dispersed over many separate publications and misinterpretations of the primary literature are possible; the TraPPE force field makes specific… CONTINUE READING
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