Automation of the CHARMM General Force Field (CGenFF) I: Bond Perception and Atom Typing

Kenno Vanommeslaeghe, Alexander D. MacKerell Jr.. Automation of the CHARMM General Force Field (CGenFF) I: Bond Perception and Atom Typing. Journal of Chemical Information and Computer Sciences, 52(12):3144-3154, 2012. [doi]

Authors

Kenno Vanommeslaeghe

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Alexander D. MacKerell Jr.

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