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

[Justin A. Lemkul]

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

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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