2013/8/12 <[email protected]>: > 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? It is not obvious to me, where the mistake is, but it seems to be a normalization problem.
How did you calculated these distributions? csg_stat, g_rdf or g_bond? It might be worth calculating one distribution in the atomistic and cg case by hand using vmd to see if you get the same difference. Christoph > > 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]. > 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. > > -- Christoph Junghans Web: http://www.compphys.de -- 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.
