2013/7/4 <[email protected]>: > Dear Users, > > I know that when calculating distributions using csg_stat (nonbonded) the > neighboring residues from interacting groups are excluded. How about 1-3 > interactions? I tried to create fake bonds in mapping file between 1-3 > residues but cannot see any difference. Does it mean they are also excluded? I think, we forgot to mention, beads in an angle/dihedral are excluded, too. (We follow the gromacs convention.) This might generate a 1-3 exclusion in your case.
You can use csg_dump with/without a mapping file together with the --excl option to check, which beads are excluded. Christoph > > 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.
