Re: [gmx-users] theory of MD

[Erik Lindahl]

Hi, Two reading suggestions: 1. Allen & Tildesley, Computer Simulation of Liquids, ISBN 0198556454 2. Frenkel & Smit, Understanding Molecular Simulations, ISBN 0122673514 Cheers, Erik On Aug 23, 2006, at 1:54 PM, [EMAIL PROTECTED] wrote: Dear all, My question is on the theory of MD. I actually could not find any material  which describes in detail about the time integration algorithm.  1) I wanted to know why the time integration algorithm has to be used,  I mean the practical benefits of it. I want the reading reference for the  same.  2) Also I have seen that there is no appropriate material which describes  practically, i mean in detail from the Newtons laws of motion (taking few  partiles as example and simulate it theoretically) and how the velocities,  positions etc are claculated. I need the material for the same.       Kindly give me the references for papers and tutorials. with best wishes Anwar ---------------------- Mohd Anwaruddin Project Assistant C/o DR.H.A.Nagarajaram Lab of Computational Biology and Bioinformatics Center for DNA Fingerprinting and Diagnostics(CDFD) Nacharam Hyderabad-500 076 INDIA. Tel: +91-8413-235467,68,69,70 ext 2019 [EMAIL PROTECTED] ----------------------- - _______________________________________________ gmx-users mailing list    gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the  www interface or send it to [EMAIL PROTECTED]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php

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