|
|
| (4 intermediate revisions by 3 users not shown) |
| Line 1: |
Line 1: |
| *[[Initial configuration]]
| | #REDIRECT[[Molecular dynamics]] |
| *[[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]]
| |