[gmx-users] Fw: probability from COM of micelle

Justin Lemkul jalemkul at vt.edu
Thu May 9 20:15:13 CEST 2013

On 5/9/13 10:15 AM, mohammad agha wrote:
> Dear GROMACS Specialist,
> I want to plot probability (nm^-1) distribution of micelle selected atoms with respect to COM of the micelle (nm).
> with respect to this definition, "Probability was defined as the number of instances the selected atom was found within a spherical shell of width 0.02 nm at a distance r from the micelle COM divided by r", may I ask you to give me one formula to plot of this probability, Please?
> for example, to plot of density(nm^-3) with respect to COM of micelle (nm), I do as following:
> density = g(r) * (N/V)

It sounds like all you need to do is create a histogram from data produced by 
g_dist.  You can make the histogram with g_analyze or any number of other programs.



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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