Molecular dynamics: Difference between revisions
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m (Added an internal link to milestoning.) |
m (Grouped links to constraints.) |
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*[[Ab initio molecular dynamics]] | *[[Ab initio molecular dynamics]] | ||
*[[Barostats]] | *[[Barostats]] | ||
*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]] | ||
*[[Milestoning]] | *[[Milestoning]] | ||
*[[Rigid bodies]] | *[[Rigid bodies]] | ||
*[[Thermostats]] | *[[Thermostats]] | ||
*[[Time step]] | *[[Time step]] | ||
| Line 20: | Line 22: | ||
*[[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", Cambridge University Press] | ||
[[category: Computer simulation techniques]] | [[category: Computer simulation techniques]] | ||
Revision as of 11:57, 19 May 2009
- Ab initio molecular dynamics
- Barostats
- Constraints:
- Event-driven molecular dynamics
- Initial configuration
- Integrators for molecular dynamics
- Milestoning
- Rigid bodies
- Thermostats
- Time step
- RESPA a multiple time step method.
- Velocity Verlet algorithm
- Verlet leap-frog algorithm
- Virial pressure