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.
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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.
 
==Multiple time steps==
 
==Multiple time steps==
 
A well known multiple time step method is the reversible reference system propagator algorithm (RESPA):
 
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)]
 
*[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)]
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==See also==
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*[[Dissipative particle dynamics]]
 
[[category:molecular dynamics]]
 
[[category:molecular dynamics]]

Revision as of 13:01, 6 December 2007

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The time-step is an important variable in molecular dynamics simulations. It is usually of the order of femto (10^{-15}) seconds for molecular simulations.

Multiple time steps

A well known multiple time step method is the reversible reference system propagator algorithm (RESPA):

See also