- 1.7
- 1.6
- 1.5
- Beta
- Examples (for 1.6a)
- Misc
Original OPLS-AA forcefield of Jorgensen et al. Thanks to W. Jorgensen for supplying the parameter data.
References
- W. L. Jorgensen, D. S. Maxwell, and J. Tirado-Rives, J. Am. Chem. Soc. 118, 11225-11236 (1996).
- W. L. Jorgensen and N. A. McDonald, Theochem 424, 145-155 (1998).
- W. L. Jorgensen and N. A. McDonald, J. Phys. Chem. B 102, 8049-8059 (1998).
- R. C. Rizzo and W. L. Jorgensen, J. Am. Chem. Soc. 121, 4827-4836 (1999).
- M. L. Price, D. Ostrovsky, and W. L. Jorgensen, J. Comp. Chem. 22 (13), 1340-1352 (2001).
- E. K. Watkins and W. L. Jorgensen, J. Phys. Chem. A 105, 4118-4125 (2001).
Note: NETA definitions have been written for a large number of types in the forcefield, but not all.