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? 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.
