Molecular dynamics: Difference between revisions
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*[[ | *[[Initial configuration]] | ||
*[[Verlet leap-frog algorithm]] | |||
*[[Velocity Verlet algorithm]] | |||
*[[Time step]] | |||
**[[RESPA]], a multiple time step method | |||
*[[Thermostats]] | |||
*[[Barostats]] | |||
*[[Virial pressure]] | |||
*[[LINCS]] | |||
*[[RATTLE]] | |||
*[[SETTLE]] | |||
*[[SHAKE]] | |||
**[[M-SHAKE]] | |||
**[[P-SHAKE]] | |||
**[[RD-SHAKE]] | |||
**[[Q-SHAKE]] | |||
*[[WIGGLE]] | |||
*[[Rigid bodies]] | |||
*[[Event-driven molecular dynamics]] | |||
*[[Ab initio molecular dynamics]] | *[[Ab initio molecular dynamics]] | ||
==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", Cambridge University Press] | ||
[[category: Computer simulation techniques]] | [[category: Computer simulation techniques]] | ||
Revision as of 15:06, 18 February 2008
- Initial configuration
- Verlet leap-frog algorithm
- Velocity Verlet algorithm
- Time step
- RESPA, a multiple time step method
- Thermostats
- Barostats
- Virial pressure
- LINCS
- RATTLE
- SETTLE
- SHAKE
- WIGGLE
- Rigid bodies
- Event-driven molecular dynamics
- Ab initio molecular dynamics