Gromacs

OPLS

    Table of contents
    1. 1. References

    OPLS (Optimized Potential for Liquid Simulations) is a set of force fields developed by Prof. William L. Jorgensen. There is both united atom (OPLS-UA) and all atom (OPLS-AA) forcefields.

    • ACPYPE: link to tutorial on how to prepare a protein/ligand complex system for a simulation with Gromacs - note that this software does not claim to produce OPLS-compatible topologies

    References

    • W. L. Jorgensen, D. S. Maxwell, and J. Tirado-Rives. (1996) J. Am. Chem. Soc. 118 (45): 11225-11236. DOI
    • G. A. Kaminski, R. A. Friesner, J. Tirado-Rives, and W. L. Jorgensen (2001) J. Phys. Chem. B 105 (28): 6474-6487. DOI
    Page last modified 16:34, 23 May 2010 by mabraham