Atomistic force fields don't have pi electrons ;)
On Fri, Feb 24, 2017 at 3:17 PM, Kenneth McGuinness <
kenneth.mcguinness.gmail.com> wrote:
> Hi Abhishek, the paper below is a good reference for calculating Pi-Pi
> interactions
>
> https://www.ncbi.nlm.nih.gov/pubmed/3892686
>
> ~Kenneth
>
>
> On Fri, Feb 24, 2017 at 3:59 PM, Thakur, Abhishek <axt651.miami.edu>
> wrote:
>
> > Hi,
> >
> > I have MD for my receptor, ligand complex.
> >
> > Now I want to do analysis like pi-pi interaction and hydrophobic
> > interaction.
> >
> > can anyone suggest me how to do that.
> >
> >
> >
> >
> > With regards,
> >
> > -AT
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Received on Fri Feb 24 2017 - 15:00:02 PST
