Re: constraints im molecular dynamics

From: G. Ravishanker <ravishan[ AT ]swan.wcc.wesleyan.edu>
Subject: Re: constraints im molecular dynamics
Date: Mon, 8 Nov 1993 08:46:46 -0500

 Ferenc
 SHAKE proposed by Ryckaert and implemented by van Gunsteren's work and
 RATTLE from Andersen are the most commonly used. For references and
 example code can be found in the book by M.P. Allen and D.J. Tildesley on
 Computer simulation of liquids published by Oxford Science publications.
 Hope this helps.
 Ravi
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