Dear developers and users I am trying to make CG potentials for a homo-polymer system with IBI. I found that the radial distribution function of CG beads calculated with csg_stat shows different results when the bonded (angles / dihedrals) interactions are defined or not in the mapping xml file. I guess some neighbor beads are automatically excluded in calculating the RDF, and this rule should hold in the IBI process. Is it right? How can I control the exclusions?
Thank you very much. Takahiro Ohkuma -- 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.
