On 2013-05-09 20:15, Justin Lemkul wrote:
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
How about g_rdf?
--
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
sp...@xray.bmc.uu.se http://folding.bmc.uu.se
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