Molecular dynamics: Difference between revisions
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*[[Ab initio molecular dynamics]] | |||
*[[Barostats]] | |||
*[[Event-driven molecular dynamics]] | |||
*[[Initial configuration]] | *[[Initial configuration]] | ||
*[[Integrators for molecular dynamics]] | *[[Integrators for molecular dynamics]] | ||
*[[LINCS]] | *[[LINCS]] | ||
*[[RATTLE]] | *[[RATTLE]] | ||
*[[Rigid bodies]] | |||
*[[SETTLE]] | *[[SETTLE]] | ||
*[[SHAKE]] | *[[SHAKE]] | ||
**[[M-SHAKE]] | **[[M-SHAKE]] | ||
**[[P-SHAKE]] | **[[P-SHAKE]] | ||
**[[Q-SHAKE]] | |||
**[[RD-SHAKE]] | **[[RD-SHAKE]] | ||
**[[ | *[[Thermostats]] | ||
*[[Time step]] | |||
**[[RESPA]] a multiple time step method. | |||
*[[Velocity Verlet algorithm]] | |||
*[[Verlet leap-frog algorithm]] | |||
*[[Virial pressure]] | |||
*[[WIGGLE]] | *[[WIGGLE]] | ||
==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 19:17, 8 February 2009
- Ab initio molecular dynamics
- Barostats
- Event-driven molecular dynamics
- Initial configuration
- Integrators for molecular dynamics
- LINCS
- RATTLE
- Rigid bodies
- SETTLE
- SHAKE
- Thermostats
- Time step
- RESPA a multiple time step method.
- Velocity Verlet algorithm
- Verlet leap-frog algorithm
- Virial pressure
- WIGGLE