Thank you for your reply, Sikandar. I am worried about the normalization of the rdf. Isn't that a volume normalization? If that is the case, I would think that different sizes of the simulation box for the atomistic and CG runs would make a difference. I might be wrong here, and hence need some clarification on this.
Many thanks. -Pallavi Banerjee On Wednesday, December 23, 2015 at 10:31:24 PM UTC+5:30, Pallavi Banerjee wrote: > > Hello all, > > Should the box volume to carry out NVT runs for IBI be the very same as > that of the atomistic run? Would the difference in volume, if there was > any, lead to issues in the convergence of the rdf profiles? > > Thanks in advance! > > -Pallavi Banerjee > > -- 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.
