[gmx-users] concentration distribution

Justin A. Lemkul jalemkul at vt.edu
Sat Sep 24 18:52:14 CEST 2011

lina wrote:
> On Sep 25, 2011, at 0:33, raj <vvindv.vvindv at gmail.com> wrote:
>> Hello,
>> I would like to calculate the concentration distribution of atoms along the x and y axis from the trajectory. Can anybody suggest me a tool to calculate this?
> g_rdf ?!

g_rdf cannot produce independent distributions for different axes.  It can only 
produce 3-D RDF or lateral profiles (x/y) for interfacial systems.

g_density -d might accomplish something close, selecting the desired axes 


>> regards,
>> Raj
>> -- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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