[gmx-users] Calculating the displacement of an atom QUERY
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
Sounds like a job for g_traj.
Justin A. Lemkul, Ph.D.
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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