Force-field parametrization based on radial and energy distribution functions

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Shuntaro Chiba1,2, Yasushi Okuno1,3, Teruki Honma1

  • 1RIKEN Medical Sciences Innovation Hub Program, 1-7-22, Suehiro-cho, Tsurumi-ku, Yokohama, 230-0045, Japan.

Journal of Computational Chemistry
|July 26, 2019
PubMed

Keywords:
Newton inversioncoarse grainingenergy representationforce field parametrizationiterative Boltzmann inversion

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