Automation of the CHARMM General Force Field (CGenFF) II: Assignment of Bonded Parameters and Partial Atomic Charges

Vanommeslaeghe, K ; Raman, E. Prabhu ; MacKerell, A. D

Journal of chemical information and modeling, 2012-12, Vol.52 (12), p.3155-3168 [Periódico revisado por pares]

Washington, DC: American Chemical Society

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