On Thu, Apr 1, 2021 at 7:35 PM mengyy zhou <[email protected]> wrote: > > Hello everyone! Now I want to calculate out the interfacial nonbonded > potential of nanocomposites, the distribution of density of polymer along the > surface of filler was considerd as target distribution.With VOTCA, can I get > the potential energy of the interface by IBI based on the density > distribution with the help of csg_density? I am looking forward to your > reply.Thanks!
I am not a 100% sure, but are you talking about a method like in https://doi.org/10.1063/1.4742067 ? Christoph > > -- > Join us on Slack: https://join.slack.com/t/votca/signup > --- > 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 view this discussion on the web visit > https://groups.google.com/d/msgid/votca/042965c1-d1dd-4e40-a703-6f57dfc1f7e7n%40googlegroups.com. -- Christoph Junghans Web: http://www.compphys.de -- Join us on Slack: https://join.slack.com/t/votca/signup --- 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 view this discussion on the web visit https://groups.google.com/d/msgid/votca/CAHG27e4d%2By-6mFeRaywg8QvhLsp%2Bo0tDdvZTjsBEi8nL8_jAaA%40mail.gmail.com.
