SETTLE: Difference between revisions
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An analytical version of the [[SHAKE]] and [[RATTLE]] algorithm for rigid [[water]] models. | '''SETTLE''' <ref>[http://dx.doi.org/10.1002/jcc.540130805 Shuichi Miyamoto, Peter A. Kollman "Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models", Journal of Computational Chemistry '''13''' pp. 952-962 (1992)]</ref> is an analytical version of the [[SHAKE]] and [[RATTLE]] algorithm for rigid [[water]] models. | ||
==References== | ==References== | ||
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[[Category: Molecular dynamics]] | [[Category: Molecular dynamics]] | ||
Latest revision as of 13:13, 19 July 2010
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SETTLE [1] is an analytical version of the SHAKE and RATTLE algorithm for rigid water models.