[gmx-users] Noise in a radial distribution function using g_rdf

Justin A. Lemkul jalemkul at vt.edu
Mon Feb 13 19:34:35 CET 2012

Fabian Casteblanco wrote:
> Sorry, I meant on the previous post, using g_rdf
> On Mon, Feb 13, 2012 at 12:23 PM, Fabian Casteblanco
> <fabian.casteblanco at gmail.com> wrote:
>> Hello everyone,
>> I'm using radial distribution functions on gromacs for the first time.
>>  Is it normal to see some noise on these plots?  You can still see a
>> trend on the plot but it appears somewhat noisy and not as nice and
>> linear as some other plots I've seen in other simulations like the
>> tutorial.

Like anything else, the smoothness of the resulting curve is a function of the 
sampling (time, size of the group, etc).  Some noise is generally expected.



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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