OBForceFieldUFF

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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

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.

Validation