DREIDING : A Generic Force Field for Molecular Simulations 8897

@inproceedings{Mayo2001DREIDINGA,
  title={DREIDING : A Generic Force Field for Molecular Simulations 8897},
  author={Stephen L. Mayo and Barry D. Olafson and William A. Goddard},
  year={2001}
}
We report the parameters for a new generic force field, DREIDING, that we find useful for predicting structures and dynamics of organic, biological, and main-group inorganic molecules. The philosophy in DREIDING is to use general force constants and geometry parameters based on simple hybridization considerations rather than individual force constants and geometric parameters that depend on the particular combination of atoms involved in the bond, angle, or torsion terms. Thus all bond… CONTINUE READING