Thank you for your input. I am going to run for another 15 ns to see if the little jumps vanish.
Best, On Fri, Sep 9, 2011 at 9:16 PM, Justin A. Lemkul <jalem...@vt.edu> wrote: > > > lina wrote: > > >> >> On Sat, Sep 10, 2011 at 3:35 AM, Moeed <lecie...@googlemail.com <mailto: >> lecielll@googlemail.**com <lecie...@googlemail.com>>> wrote: >> >> Dear users, >> >> I have created radial distribution function plot for Carbon atoms in >> a system containing polymer chains. I see some little jumps between >> first and second peak. >> I need your help to comment on how this behavior can be justified >> (or if the plot is wrong). >> >> g_rdf -f *.trr -s *.tpr -o *.xvg -n *.ndx –b xxx >> Thank you in advance. >> >> >> I think your figure is fine. >> > > > I think, based on information given in subsequent messages, that there is > insufficient data collection to assess whether this RDF plot is as > meaningful as it could be. There is nothing glaringly wrong, but the > roughness is due to insufficient sampling. > > > >> You just need how to proper interpret your figures, truly understand what >> the "radial distribution" means. >> >> > > I think it inappropriate to suggest that the OP does not understand the > concept behind the figure; some guidance, perhaps is necessary, but nothing > more. > > > -Justin > > -- > ==============================**========== > > 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<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin> > > ==============================**========== > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<http://www.gromacs.org/Support/Mailing_Lists/Search>before > posting! > Please don't post (un)subscribe requests to the list. Use the www interface > or send it to gmx-users-requ...@gromacs.org. > Can't post? Read > http://www.gromacs.org/**Support/Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists> >
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