[gmx-users] Fw: probability from COM of micelle
mra_bu at yahoo.com
Mon May 13 14:00:43 CEST 2013
----- Forwarded Message -----
From: Justin Lemkul <jalemkul at vt.edu>
To: mohammad agha <mra_bu at yahoo.com>
Sent: Monday, May 13, 2013 4:11 PM
Subject: Re: probability from COM of micelle
It is much better to post this information to the list so that others can
benefit from it.
On 5/13/13 5:25 AM, mohammad agha wrote:
> Dear Justin,
> I found one way to obtain probability(nm^-1) plot with respect to COM. I thought it is better that I say you.
> 1- g_rdf -f md.xtc -s md.tpr -n index.ndx -o prob.xvg -com -nonorm
> 2- Then values of probability are divided by r(box length).
> Best Regards
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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