[gmx-users] Regarding Radial Distribution Functions

[Mark Abraham]

Hi,

You're making a histogram. The size of the bins and the number of
statistically independent data points in each bin are critical parameters
in how smooth that looks.

Mark

On Mon, 20 Mar 2017 17:00 Dilip H N <cy16f01.dilip at nitk.edu.in> wrote:

> Hello.,
> I ran a simultion for 10ns [ steps = 10000000, dt = 0.002] and whn i index
> the file and thn if i plot the rdf , the rdf curves are not smooth, there
> are lot of peaks present, and even after runnig the steps for more no of
> steps ie., for 20ns and after tht also my rdf peaks are not so smooth...why
> is this so..?? How can i smoothen my curve..??
>
> --
> With Best Regards,
>
> DILIP.H.N
> Research Scholar,
> Department of Chemistry, NITK.
>
>
>
>
>
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