DREIDING: A generic force field for molecular simulations

  title={DREIDING: A generic force field for molecular simulations},
  author={Stephen L. Mayo and Barry D. Olafson and William A. Goddard},
  journal={The Journal of Physical Chemistry},
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… 
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