Molecular dynamics: Difference between revisions
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*[[Integrators for molecular dynamics]] | *[[Integrators for molecular dynamics]] | ||
*[[LINCS]] | *[[LINCS]] | ||
*[[Milestoning]] | |||
*[[RATTLE]] | *[[RATTLE]] | ||
*[[Rigid bodies]] | *[[Rigid bodies]] | ||
Revision as of 11:42, 19 May 2009
- Ab initio molecular dynamics
- Barostats
- Event-driven molecular dynamics
- Initial configuration
- Integrators for molecular dynamics
- LINCS
- Milestoning
- RATTLE
- Rigid bodies
- SETTLE
- SHAKE
- Thermostats
- Time step
- RESPA a multiple time step method.
- Velocity Verlet algorithm
- Verlet leap-frog algorithm
- Virial pressure
- WIGGLE