On Mon, Oct 15, 2012 at 4:14 PM, Shashidhar Rao <shashidharr.gmail.com>wrote:
> Hello Jason,
>
> Thank you very much for the clarifications. As an extension of my query (I
> should have mentioned this earlier), I am dealing with a protein ligand
> complex. I was wondering if the intermolecular interaction energy between
> the protein and the ligand is also printed out. of course, this can always
> be derived from the energies of the ligand, protein and the complex, but I
> was wondering if there is a flag that would print this out.
>
There is no such flag. This decomposition is not done internally.
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Mon Oct 15 2012 - 14:30:02 PDT
