RATTLE: Difference between revisions
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==References== | ==References== | ||
#[http://dx.doi.org/10.1016/0021-9991(83)90014-1 Hans C. Andersen "RATTLE: A “velocity” version of the shake algorithm for molecular dynamics calculations", Journal of Computational Physics '''52''' pp. 24-34 (1983)] | #[http://dx.doi.org/10.1016/0021-9991(83)90014-1 Hans C. Andersen "RATTLE: A “velocity” version of the shake algorithm for molecular dynamics calculations", Journal of Computational Physics '''52''' pp. 24-34 (1983)] | ||
==External resources== | |||
*[ftp://ftp.dl.ac.uk/ccp5/ALLEN_TILDESLEY/F.09 Rattle algorithm for constraint dynamics of a chain molecule] sample FORTRAN computer code from the book [http://www.oup.com/uk/catalogue/?ci=9780198556459 M. P. Allen and D. J. Tildesley "Computer Simulation of Liquids", Oxford University Press (1989)]. | |||
[[Category: Molecular dynamics]] | [[Category: Molecular dynamics]] | ||
Latest revision as of 18:28, 8 February 2009
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See also[edit]
References[edit]
External resources[edit]
- Rattle algorithm for constraint dynamics of a chain molecule sample FORTRAN computer code from the book M. P. Allen and D. J. Tildesley "Computer Simulation of Liquids", Oxford University Press (1989).