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

Justin A. Lemkul jalemkul at vt.edu
Wed Dec 9 23:44:17 CET 2009

It came through just fine for me; see my reply that I posted earlier:



Lum Nforbi wrote:
> Hi,
> 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 <mailto: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 <mailto: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,
> Lum


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


More information about the gromacs.org_gmx-users mailing list