On Thu, Jan 31, 2019 at 2:04 PM Akash Banerjee <[email protected]> wrote: > > Dear Christoph and other Votca Developers, > > I am curious about double counting in the hexane/ibi_all tutorial. Does IBI > allow to evaluate Bonded and Nonbonded interactions at the same time without > any issue?
A bonded iteration will always generate an exclusion for a non-bonded counting, so you cannot count a pair for a bond in an RDF if that is your question! Christoph > > Thank you for your help! > > Kind Regards, > Akash > > -- > 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. -- 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.
