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.
