From Open Babel
Revision as of 11:55, 15 December 2007 by Tim (Talk | contribs)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search

OBForceFieldUFF class

This class is an implementation of the Universal Force Field (UFF). It is an all-atom method for the full periodic table.

  1. J. Am. Chem. Soc. 1992, Vol. 114, No. 25, 10024-10035


Parameters for the UFF force field can be found in data/UFF.prm. Each atom type has 12 parameters from which all needed parameters for the interactions are calculated.