[gmx-users] Average rmsd

Justin Lemkul jalemkul at vt.edu
Mon Apr 29 14:22:13 CEST 2019

On 4/25/19 8:49 AM, neelam wafa wrote:
> Hi!
> I have run 5ns simulation of protein ligand complex and got its rmsd plot
> using gmx_rms. How can i get average rmsd value for this simulation. Is it
> to be taken from xmgrace graph or there is any way to calculate it? U cant
> find it in log file.

You can get the average of any data series (as well as other statistical 
analysis) with gmx analyze.



Justin A. Lemkul, Ph.D.
Assistant Professor
Office: 301 Fralin Hall
Lab: 303 Engel Hall

Virginia Tech Department of Biochemistry
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129


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