Dear Christoph Thank you very much for your quick reply. I will follow your link first.
Best regards Takahiro 2016年4月25日月曜日 17時30分02秒 UTC+2 Christoph Junghans: > > Hi Takahiro, > > this topic comes up again every now and then and has been discussed on > the mailing list extensively on the mailing list. > A good summary can be found here: > <https://groups.google.com/d/msg/votca/3P8iT9UVBHg/gSTigVSQAwAJ> > > In short, bonds, angles etc. in the mapping file generate exclusion > automatically, in the same way as gromacs does. > You can use > $ csg_dump --top topol.tpr --cg map.xml --execl > to figure out what VOTCA is doing. > > Cheers, > > Christoph > > > 2016-04-25 5:09 GMT-07:00 Takahiro Ohkuma <[email protected] > <javascript:>>: > > 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] <javascript:>. > > To post to this group, send email to [email protected] > <javascript:>. > > 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.
