Because in periodic or assymmetric system, the angular momentum is not conserved. You can find the explaination in computer simulation of liquids - Allen and Tldesley.
Best wishes,
Abu Naser
From: [EMAIL PROTECTED]
Sent: Mon 14/08/2006 11:58 AM
To: gmx-users@gromacs.org
Subject: [gmx-users] regarding comm_mode
Dear users, There is an option in .mdp named comm_mode, which deals with the translation and rotation of the molecule being simulated. I want to know how and why the translation and rotation happens during the simulation and their significance. Can any one suggest me any reading material where in I can find how the dynamics is performed internally. thanks in advance regards 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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