[gmx-users] Average rmsd
jalemkul at vt.edu
Mon Apr 29 14:22:13 CEST 2019
On 4/25/19 8:49 AM, neelam wafa wrote:
> 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.
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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