You do not have permission to delete messages in this group
Copy link
Report message
Show original message
Either email addresses are anonymous for this group or you need the view member email addresses permission to view the original message
to votca
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!
Christoph Junghans
unread,
Apr 1, 2021, 10:14:18 PM4/1/21
Reply to author
Sign in to reply to author
Forward
Sign in to forward
Delete
You do not have permission to delete messages in this group
Copy link
Report message
Show original message
Either email addresses are anonymous for this group or you need the view member email addresses permission to view the original message
to vo...@googlegroups.com
On Thu, Apr 1, 2021 at 7:35 PM mengyy zhou <zhoumen...@gmail.com> 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!