[gmx-users] Regarding Radial Distribution Functions

Dilip H N cy16f01.dilip at nitk.edu.in
Mon Mar 20 16:59:50 CET 2017

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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