[gmx-users] How to calculate the center of the mass in gromacs

xu zhijun simulationxu at yahoo.com
Tue May 15 20:25:55 CEST 2012

Thanks a lot, Justin.
It works well.


--- On Tue, 5/15/12, Justin A. Lemkul <jalemkul at vt.edu> wrote:

From: Justin A. Lemkul <jalemkul at vt.edu>
Subject: Re: [gmx-users] How to calculate the center of the mass in gromacs
To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
Date: Tuesday, May 15, 2012, 12:51 PM

On 5/15/12 11:35 AM, xu zhijun wrote:
> Is there the simple method to calculate the center of the mass for a group of atoms?
> I want to post-process the traj date file.

This is a function of g_traj.


-- ========================================

Justin A. Lemkul, Ph.D.
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080

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