Molec. Dynamics Simulator
dougnb at netcom.com
Fri Dec 16 04:33:28 EST 1994
I have finished a molecular dynamics simulator for the SPC model
The core routines are essentially taken from: Allen-Tildesley,
Computer Simulation of Liquids, and I added code for the coulomb
force calculations, and the SPC model.
It is, I think, more useful as a learning tool than a practical
simulator, (although it does generate answers which match published
data), for those like me, who are reading through Allen-Tildesley,
and would like something which follows on from the Allen-Tildesley
building blocks F.1-F.37, but not so complicated as a full-featured
simulator such as Amber.
If you are interested, send me email, and I will send you a copy.
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