[gmx-users] Calculating the displacement of an atom QUERY

Justin Lemkul jalemkul at vt.edu
Tue Dec 24 19:22:36 CET 2013

On 12/24/13, 2:38 AM, rbbioinfo wrote:
> Hi, I want to plot the total displacement of an atom/ion along Z axis with
> respect to time. Anybody kindly help me regarding how to calculate the
> movement of any atom using gromacs. An early response will be highly
> appreciated.

Sounds like a job for g_traj.



Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


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