Time step: Difference between revisions
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The '''time-step''' is an important variable in molecular dynamics simulations. It is usually of the order of femto (<math>10^{-15}</math>) seconds for | The '''time-step''' (often written as <math>\delta t</math>) is an important variable in [[molecular dynamics]] simulations. It is usually of the order of femto (<math>10^{-15}</math>) seconds for simulations of [[flexible molecules]]. | ||
==Multiple time steps== | ==Multiple time steps== | ||
<ref>[http://dx.doi.org/10.1080/00268977800100471 W. B. Streett, D. J. Tildesley and G. Saville "Multiple time-step methods in molecular dynamics", Molecular Physics '''35''' pp. 639-648 (1978)]</ref> | <ref>[http://dx.doi.org/10.1080/00268977800100471 W. B. Streett, D. J. Tildesley and G. Saville "Multiple time-step methods in molecular dynamics", Molecular Physics '''35''' pp. 639-648 (1978)]</ref> | ||
Revision as of 10:22, 26 November 2010
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The time-step (often written as Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \delta t} ) is an important variable in molecular dynamics simulations. It is usually of the order of femto (Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle 10^{-15}} ) seconds for simulations of flexible molecules.
Multiple time steps
RESPA
A well known multiple time step method is the reversible reference system propagator algorithm (RESPA) [2].
See also
References
Related reading