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
format.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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