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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