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Original Articles

Efficient Test Molecule Sampling in Molecular Simulation

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Pages 239-247 | Received 01 Aug 1990, Accepted 01 May 1991, Published online: 23 Sep 2006
 

Abstract

Excluded volume map sampling (EVMS) is a particularly efficient means of performing test molecule sampling to estimate or impose chemical potential in molecular simulations. This paper discusses the motivation and applications of excluded volume map sampling, presents computer code demonstrating its implementation, and gives an example of its application.

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