[gmx-users] COM removal

Berk Hess gmx3 at hotmail.com
Thu Feb 2 09:45:10 CET 2006

>From: Bob Johnson <robertjo at physics.upenn.edu>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: GROMACS Mailing List <gmx-users at gromacs.org>
>Subject: [gmx-users] COM removal
>Date: Wed, 01 Feb 2006 16:25:18 -0500
>Hello everyone,
>Is there a way to remove the COM motion in one particular direction only? 
>doing a simulation of a single stranded DNA adsorbing on an infinite carbon
>nanotube. The carbon nanotube is held fixed and is alligned along the
>z-direction. I would like to remove the COM motion of the DNA in the
>z-direction. Can this be done?

The pull code can do that, that would also give you the force
needed to keep the DNA fixed.
See the manual.


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