Ok and another update: if I unite together both bonds ie create one bond type only that includes A1 B1 & B1 B2 & B2 A2 I get:
> histogram created using 3000 data-rows, written to bond.dist.ib > histogram created using 2000 data-rows, written to ABB-angle.dist.ib > > > > histogram created using 3000 data-rows, written to bond.pot.ib > > histogram created using 2000 data-rows, written to ABB-angle.pot.ib There is some inconsistency here. I am not sure what I can do, so any help is appreciated. V -- You received this message because you are subscribed to the Google Groups "votca" group. To post to this group, send email to [email protected]. To unsubscribe from this group, send email to [email protected]. For more options, visit this group at http://groups.google.com/group/votca?hl=en.
