Difference between revisions of "SETTLE"

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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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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 09:59, 27 September 2007

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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)