Thank you. These are RDFs between different type of beads as I mentioned - non bonded. They were taken from the folder step_XXX comparing name.dist.tgt and name.dist.new so by csg_stat. This must be normalization issue but how to overcome this?
Steven W dniu poniedziałek, 12 sierpnia 2013 17:02:36 UTC+1 użytkownik Valentina Erastova napisał: > > Hi, have you used scaling by by 1 /4 \pi r^2for bond and by 1/ sin > (\theta) for angle distribution? > > I assume those are angles & bonds. > > Best, > V > > > > On 12 Aug 2013, at 16:39, [email protected] <javascript:> wrote: > > Dear Users, > > I run 7500 iterations of the protein with 5 different bead types so 15 > distributions. Please, see attached 4 examples - black atomistic, red > coarse-grained. > 14 of them have exactly the same shapes as atomistic but have higher > values and they stopped converging after 6000 steps. Only one (attached) > perfectly converged. > May that be the reason of the one converged so its a wrong distribution so > the other cannot? Or everything is ok and I just to normalize them? > > Thank you, > > Steven > > -- > You received this message because you are subscribed to the Google Groups > "votca" group. > To unsubscribe from this group and stop receiving emails from it, send an > email to [email protected] <javascript:>. > To post to this group, send email to [email protected] <javascript:>. > Visit this group at http://groups.google.com/group/votca. > For more options, visit https://groups.google.com/groups/opt_out. > > > <Dsitributions_RDF.png> > > > -- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To post to this group, send email to [email protected]. Visit this group at http://groups.google.com/group/votca. For more options, visit https://groups.google.com/groups/opt_out.
