CFF force field

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CFF (consistent force-field, formerly CFF95) was parameterized for additional functional groups beyond CFF91. It is recommended for all life sciences applications and for organic polymers such as polycarbonates and polysaccharides.

References

  1. J. R. Maple, M.-J. Hwang, T. P. Stockfisch, U. Dinur, M. Waldman, C. S. Ewig, A. T. Hagler "Derivation of class II force fields. I. Methodology and quantum force field for the alkyl functional group and alkane molecules", Journal of Computational Chemistry 15 pp. 162-182 (1994)
  2. Svava Ósk Jónsdóttir and Kjeld Rasmussen "The consistent force field. Part 6: an optimized set of potential energy functions for primary amines", New Journal of Chemistry 24 pp. 243-247 (2000)
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