Editing Classical molecular dynamics
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*[[Initial configuration]] | |||
*[[Verlet leap-frog algorithm]] | |||
*[[Velocity Verlet algorithm]] | |||
*[[Time step]] | |||
*[[Thermostats]] | |||
*[[Barostats]] | |||
*[[LINCS]] | |||
*[[RATTLE]] | |||
*[[SETTLE]] | |||
*[[SHAKE]] | |||
**[[M-SHAKE]] | |||
**[[P-SHAKE]] | |||
**[[RD-SHAKE]] | |||
**[[Q-SHAKE]] | |||
*[[WIGGLE]] | |||
*[[Rigid bodies]] | |||
*[[Event-driven molecular dynamics]] | |||
==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/10.1063/1.1730376 B. J. Alder and T. E. Wainwright "Studies in Molecular Dynamics. I. General Method", Journal of Chemical Physics '''31''' pp. 459-466 (1959)] | |||
*[http://dx.doi.org/10.1063/1.1731425 B. J. Alder and T. E. Wainwright "Studies in Molecular Dynamics. II. Behavior of a Small Number of Elastic Spheres", Journal of Chemical Physics '''33''' pp. 1439-1451 (1960)] | |||
*[http://dx.doi.org/ | |||
[[category: molecular dynamics]] |