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opls [2014/01/25 04:45] (current)
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 +====== OPLS ======
 +**O**ptimized **P**otentials for **L**iquid **S**imulations
 +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.
 +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.
opls.txt · Last modified: 2014/01/25 04:45 (external edit)
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