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Polarizable Force Field in OpenMM #5

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xy21hb opened this issue Sep 14, 2015 · 0 comments
Open

Polarizable Force Field in OpenMM #5

xy21hb opened this issue Sep 14, 2015 · 0 comments

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@xy21hb
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xy21hb commented Sep 14, 2015

I'm interested in learning how to implement a polarizable force field (e.g. perhaps starting from various polarizable water models such as those in AMOEBA) in OpenMM or similar MD engines with potential ways to reduce the computational cost and to extend to multi-scales, i.e. atomistic, fine-grained, coarse-grained, and adaptive-resolution. .

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