Welcome to CGenFF
The CHARMM General Force Field (CGenFF) program performs atom typing and assignment of parameters and charges by analogy in a fully automated fashion. Atom typing is done by a deterministic programmable decision tree. Assignment of bonded parameters is based on substituting atom types in the definition of the desired parameter. A penalty is associated with every substitution and the existing parameter with the lowest total penalty is chosen as an approximation for the desired parameter; the "penalty score" is returned to the user as a measure for the accuracy of the approximation. Charges are assigned using an extended bond-charge increment scheme that is able to capture short- and medium-range inductive and mesomeric effects.

The CGenFF program is a product of the discontinued ParamChem project. Future directions for the CGenFF program can be found at the future prospects page.

  CGenFF program links

  CGenFF force field links


PARAMCHEM CGENFF IS AVAILABLE FOR NON-PROFIT/ACADEMIC PURPOSES ONLY. FOR COMMERCIAL USE OF CGENFF, LICENSING AND ALL SUPPORT QUESTIONS, PLEASE CONTACT support@silcsbio.com