Mayo, Olafson & Goddard II's Generic Forcefield (testing/dreiding.ff)
Mayo, Olafson & Goddard II's Generic Forcefield (testing/dreiding.ff)
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Mayo, Olafson & Goddard II's Generic Forcefield (testing/dreiding.ff)

Universal forcefield for the whole periodic table.

References

  • S.L. Mayo, B.D. Olafson, and W.A. Goddard III, J. Phys. Chem. 94, 8897-8909 (1990).

Notes:

  • dreiding.ff currently lives in the testing/ directory since it is a rule-based forcefield and is currently being rewritten.
  • Generated terms should be checked by hand if forcefield expressions are exported.
  • Detection of some atomtypes, namely transition metals, is imperfect.
  • Warning: Generation of terms (especially angles) needs to undergo proper testing! If you wish to help, please contact me.
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