[gmx-users] g_dist

Justin Lemkul jalemkul at vt.edu
Sun May 12 15:09:12 CEST 2013

On 5/12/13 8:48 AM, mohammad agha wrote:
> Dear GROMACS Specialists,
> I want to obtain number of instances the different atoms was found within a spherical shell of width 0.02 nm at a distance r
> from the micelle COM. For this, I use g_dist -dist, but when I select for example 0.04, it also result all instances in 0-0.02, whereas I want only instances in 0.02-0.04. May I ask you to help me, Please?

What you need is a histogram, with a bin width of 0.02 nm.  g_dist won't do this 
for you.  g_analyze -dist -bw 0.02 will do that based on whatever input data you 
give it, though the direct output of g_dist -dist probably isn't in the right 



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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