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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. .
The text was updated successfully, but these errors were encountered:
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. .
The text was updated successfully, but these errors were encountered: