SETTLE: Difference between revisions

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(New page: An analytical version of the SHAKE and RATTLE algorithm for rigid water models. ==References== #[http://dx.doi.org/10.1002/jcc.540130805 Shuichi Miyamoto, Peter A. Kollman "Settle:...)
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Revision as of 13:57, 12 June 2007

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)
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