Thanks!

在2021年4月2日星期五 UTC+8 上午10:14:18<Christoph Junghans> 写道:

> 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
> >
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>
>
>
> -- 
> Christoph Junghans
> Web: http://www.compphys.de
>

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