OPLS

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