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

[Justin A. Lemkul]

Lum Nforbi wrote:
> 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?
> 

What did you choose as the input groups to be analyzed?  How long was your 
simulation?

-Justin

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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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