SETTLE: Difference between revisions

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{{Stub-general}}
{{Stub-general}}
An analytical version of the [[SHAKE]] and [[RATTLE]] algorithm for rigid water models.
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)]
#[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)]
[[Category: Molecular dynamics]]
[[Category: Molecular dynamics]]

Revision as of 18:20, 17 January 2009

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An analytical version of the SHAKE and RATTLE algorithm for rigid water models.

References

  1. 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)