[gmx-users] Average rmsd
neelam.wafa at gmail.com
Wed May 1 13:41:27 CEST 2019
ok thanks i'll try this
On Mon, Apr 29, 2019 at 5:23 AM Justin Lemkul <jalemkul at vt.edu> wrote:
> 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
> > to be taken from xmgrace graph or there is any way to calculate it? U
> > 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
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