[gmx-users] Regarding Radial Distribution Functions
mark.j.abraham at gmail.com
Mon Mar 20 18:11:37 CET 2017
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.
On Mon, 20 Mar 2017 17:00 Dilip H N <cy16f01.dilip at nitk.edu.in> wrote:
> 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,
> Research Scholar,
> Department of Chemistry, NITK.
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