[gmx-users] Variation of distance between 2 CA atoms with time

Justin Lemkul jalemkul at vt.edu
Wed May 27 22:27:25 CEST 2015

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On 5/27/15 12:52 AM, Biplab Ghosh wrote:
> Thank you Justin.
> I am sorry for not being able to properly pose the problem!
> I need to know the variation in distance between two residues during the
> course of the trajectory. I was not sure whether the command  was  correct
> or not!

The command is correct (for CA-CA distance, which is not necessarily the same as 
a residue-residue distance).  I didn't understand why you thought you hadn't 
achieved what you wanted.



Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

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


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