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

Kenno Vanommeslaeghe, E. Prabhu Raman, Alexander D. MacKerell Jr.. Automation of the CHARMM General Force Field (CGenFF) II: Assignment of Bonded Parameters and Partial Atomic Charges. Journal of Chemical Information and Computer Sciences, 52(12):3155-3168, 2012. [doi]

Abstract

Abstract is missing.