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==
#[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)]
<references/>
[[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.

References[edit]