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| + | ====== OPLS ====== | ||
| + | **O**ptimized **P**otentials for **L**iquid **S**imulations | ||
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| + | OPLS((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)) | ||
| + | ((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)) | ||
| + | - a force field with the functional form similar to AMBER. | ||
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| + | 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. | ||
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