A FFLUX Water Model: Flexible, Polarizable and with a Multipolar Description of Electrostatics

Zak E. Hughes, Emmanuel Ren, Joseph C. R. Thacker, Benjamin C. B. Symons, Arnaldo F. Silva, Paul L. A. Popelier. A FFLUX Water Model: Flexible, Polarizable and with a Multipolar Description of Electrostatics. Journal of Computational Chemistry, 41(7):619-628, 2020. [doi]

Abstract

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