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. | The time-step is an important variable in molecular dynamics simulations. It is usually of the order of femto (<math>10^{-15}</math>) seconds. | ||
==Multiple time steps== | |||
A well known multiple time step method is the reversible reference system propagator algorithm (RESPA): | |||
*[http://dx.doi.org/10.1063/1.463137 M. Tuckerman, B. J. Berne and G. J. Martyna "Reversible multiple time scale molecular dynamics", Journal of Chemical Physics '''97''' pp. 1990-2001 (1992)] | |||
[[category:molecular dynamics]] | [[category:molecular dynamics]] | ||
Revision as of 14:52, 3 September 2007
The time-step 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.
Multiple time steps
A well known multiple time step method is the reversible reference system propagator algorithm (RESPA):