Revised Parameters for the AMOEBA Polarizable Atomic Multipole Water Model.

@article{Laury2015RevisedPF,
  title={Revised Parameters for the AMOEBA Polarizable Atomic Multipole Water Model.},
  author={Marie L. Laury and Lee-Ping Wang and V. Pande and T. Head-Gordon and J. Ponder},
  journal={The journal of physical chemistry. B},
  year={2015},
  volume={119 29},
  pages={
          9423-9437
        }
}
A set of improved parameters for the AMOEBA polarizable atomic multipole water model is developed. An automated procedure, ForceBalance, is used to adjust model parameters to enforce agreement with ab initio-derived results for water clusters and experimental data for a variety of liquid phase properties across a broad temperature range. The values reported here for the new AMOEBA14 water model represent a substantial improvement over the previous AMOEBA03 model. The AMOEBA14 model accurately… Expand
Development of an AMOEBA water model using GEM distributed multipoles
An efficient and accurate model for water with an improved non-bonded potential.
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