Editing Molecular dynamics
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*[[Ab initio molecular dynamics]] | *[[Ab initio molecular dynamics]] | ||
*[[Barostats]] | *[[Barostats]] | ||
*[[Car-Parrinello technique]] | *[[Car-Parrinello technique]] | ||
*[[ | *Constraints: | ||
*[[ | **[[LINCS]] | ||
*[[ | **[[RATTLE]] | ||
**[[SETTLE]] | |||
**[[SHAKE]] | |||
***[[M-SHAKE]] | |||
***[[P-SHAKE]] | |||
***[[Q-SHAKE]] | |||
***[[RD-SHAKE]] | |||
**[[WIGGLE]] | |||
*[[Event-driven molecular dynamics]] | *[[Event-driven molecular dynamics]] | ||
*[[Initial configuration]] | *[[Initial configuration]] | ||
*[[Integrators for molecular dynamics]] | *[[Integrators for molecular dynamics]] | ||
*[[Liouville-von Neumann molecular dynamics]] | *[[Liouville-von Neumann molecular dynamics]] | ||
*[[Milestoning]] | *[[Milestoning]] | ||
*[[ | *[[Rigid bodies]] | ||
*[[Thermostats]] | *[[Thermostats]] | ||
*[[Time step]] | *[[Time step]] | ||
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*[[Verlet leap-frog algorithm]] | *[[Verlet leap-frog algorithm]] | ||
*[[Virial pressure]] | *[[Virial pressure]] | ||
==General reading== | ==General reading== | ||
*[http://dx.doi.org/10.2277/0521825687 D. C. Rapaport "The Art of Molecular Dynamics Simulation", Cambridge University Press] | |||
*[http://dx.doi.org/10.2277/0521825687 D. C. Rapaport "The Art of Molecular Dynamics Simulation" | |||
[[category: Computer simulation techniques]] | [[category: Computer simulation techniques]] | ||