Re: Comp-Chem-List

[Vladimir Gusev <gusev \\at// javanet.com>]

 Dear CCL,
 	I am collecting "Molecular Simulation Idioms", and would appreciate
 any
 suggestions in this regard. By idioms I call trivial problems, methods,
 which have fundamental importance for simulations, and can possibly be
 explained on fingertips. The core of corresponding codes should be fairly
 short, and could be run on a low-end computer, yet be a great illustration.
 These examples should be useful for both beginners and seasoned workers.
 Examples of two such idioms, Drunkard's Walk and Metropolis Walk, can be
 seen at http://javanet.com/~gusev/drunkard.html and
 http://javanet.com/~gusev/metropolis.html. At this time I am
 planning to
 add a third one to the list: umbrella sampling. I would also appreciate
 your opinion about the usefulness of such undertaking in principle.
 I will post a summary if there is interest.
 Vladimir
 gusev \\at// javanet.com