[gmx-users] regarding comm_mode
Naser, Md Abu
mn2 at hw.ac.uk
Mon Aug 14 10:25:17 CEST 2006
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.
From: anwar at cdfd.org.in
Sent: Mon 14/08/2006 11:58 AM
To: gmx-users at gromacs.org
Subject: [gmx-users] regarding comm_mode
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
Lab of Computational Biology and Bioinformatics
Center for DNA Fingerprinting and Diagnostics(CDFD)
Tel: +91-8413-235467,68,69,70 ext 2019
anwar.m1 at gmail.com
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