[gmx-users] radial distribution function

Moeed lecielll at googlemail.com
Fri Sep 9 21:35:16 CEST 2011


Dear users,

I have created radial distribution function plot for Carbon atoms in a
system containing polymer chains. I see some little jumps between first and
second peak.
I need your help to comment on how this behavior can be justified (or if the
plot is wrong).

g_rdf -f *.trr -s *.tpr -o *.xvg -n *.ndx –b xxx
Thank you in advance.
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