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 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): | 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)] | ||
==See also== | ==See also== | ||
*[[Dissipative particle dynamics]] | *[[Dissipative particle dynamics]] | ||
[[category:molecular dynamics]] | [[category:molecular dynamics]] | ||
Revision as of 19:41, 12 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 () seconds for molecular simulations.
Multiple time steps
A well known multiple time step method is the reversible reference system propagator algorithm (RESPA):