[gmx-users] Fwd: RDF plot. This is weird!

Lum Nforbi lumngwegia at gmail.com
Wed Dec 9 23:28:20 CET 2009

I am forwarding the message and the attachment because I did not see my
message in the inbox of gmx-users; I saw only the attached file. Please, can
the text be included? Thank you.

---------- Forwarded message ----------
From: Lum Nforbi <lumngwegia at gmail.com>
Date: Wed, Dec 9, 2009 at 11:59 AM
Subject: RDF plot. This is weird!
To: gmx-users at gromacs.org

Dear all,

 I have attached a RDF plot of 2000 molecules of water (SOL is the system
name). It does not follow the normal trend. I used the command line below to
get this plot:
g_rdf -f wfullmdrun_traj.xtc -s wfullmdrun_extend3.tpr -o wfullmdrun_rdf.xvg
The run took about 1h 45 min to be complete.
The plot does not follow the normal trend I see for rdf plot ie first peak
higher than the second, so I know something is wrong but I don't know what.
Can someone take a look at my graph and tell me what is wrong with my system
or with my computation?

Thank you,

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