Optimized Potentials for Liquid Simulations

OPLS1) 2) - a force field with the functional form similar to AMBER.

A distinctive feature of the OPLS parameters is that they were optimized to fit experimental properties of liquids, such as density and heat of vaporization.

1) Jorgensen WL and Tirado-Rives J, 1988 “The OPLS Force Field for Proteins. Energy Minimizations for Crystals of Cyclic Peptides and Crambin” J. Am. Chem. Soc. v.110 pp.1657–1666
2) Jorgensen WL, Maxwell DS and Tirado-Rives J 1996 “Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids” J. Am. Chem. Soc. v.118 pp.11225–11236
opls.txt · Last modified: 2014/01/25 04:45 (external edit)
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