Dear all,<br><br> 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:<br>g_rdf -f wfullmdrun_traj.xtc -s wfullmdrun_extend3.tpr -o wfullmdrun_rdf.xvg<br>
The run took about 1h 45 min to be complete. <br>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?<br>
<br>Thank you,<br><br>Lum<br><br>