Difference between revisions of "Time step"
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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 molecular simulations. | + | 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 molecular simulations. |
==Multiple time steps== | ==Multiple time steps== | ||
| − | A well known multiple time step method is the reversible reference system propagator algorithm ([[RESPA]]) | + | <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> |
| − | + | ====RESPA==== | |
| − | + | A well known multiple time step method is the reversible reference system propagator algorithm ([[RESPA]]) <ref>[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)]</ref>. | |
==See also== | ==See also== | ||
*[[Dissipative particle dynamics]] | *[[Dissipative particle dynamics]] | ||
| + | ==References== | ||
| + | <references/> | ||
[[category:molecular dynamics]] | [[category:molecular dynamics]] | ||
Revision as of 15:32, 27 July 2010
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The time-step is an important variable in molecular dynamics simulations. It is usually of the order of femto (
) seconds for molecular simulations.
Multiple time steps
RESPA
A well known multiple time step method is the reversible reference system propagator algorithm (RESPA) [2].
