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

Kenno VanommeslaegheE. Prabhu RamanAlexander D. MacKerell Jr.
Published in: J. Chem. Inf. Model. (2012)
Keyphrases
  • force field
  • three dimensional
  • image sequences
  • maximum likelihood
  • gradient vector flow