Molecular dynamics: Difference between revisions
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m (Grouped links to constraints.) |
m (Added an internal link to the Car-Parrinello technique.) |
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*[[Ab initio molecular dynamics]] | *[[Ab initio molecular dynamics]] | ||
*[[Barostats]] | *[[Barostats]] | ||
*[[Car-Parrinello technique]] | |||
*Constraints: | *Constraints: | ||
**[[LINCS]] | **[[LINCS]] | ||
Revision as of 10:10, 2 June 2009
- Ab initio molecular dynamics
- Barostats
- Car-Parrinello technique
- 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