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A converter to automatically map Drude topology files into MPID ones.

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jing-huang/Drude2MPID

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e050624 · Jun 28, 2017

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Drude2MPID

A converter to automatically map Drude topology files into MPID ones.

For the details of MPID polarizable force field, see J. Huang, A. Simmonett, F. Pickard, A. MacKerell Jr., and B. Brooks, Mapping the Drude Polarizable Force Field onto a Multipole and Induced Dipole Model, J. Chem. Phys., 147, 161702 (2017)

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A converter to automatically map Drude topology files into MPID ones.

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