2016-08-25 12:58 GMT-06:00 Chang Woon Jang <[email protected]>: > Dear Votca Users, > > I have 6 bead types, thus have 21 non-bonded interaction. When I try > other tutorials (mostly 2 bead types) from csg_tutorials, it seems that > convergence reaches within few steps. In my case of 6 bead types, more than > 6 interactions still have not been converged even over 100 steps. > > I have a look all convergence files from A-A.dist.conv, A-B.dist.conv ... > to E-F.dist.conv, F-F.dist.conv. Few interactions are still over 100 not to > close to 1 or below. > > When I reduced the number of bead types to 4 bead types, most > interactions are getting close to 1 and below. > > Does the number of bead types relate to convergence behavior? To be honest, I have never looked into that, but I assume more beads is just more difficult to converge.
Christoph > > Thank you. > > > Best regards, > Changwoon Jang, > > -- > 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 https://groups.google.com/group/votca. > For more options, visit https://groups.google.com/d/optout. -- 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 https://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
