Dear Collin,
Such a feature is not implemented. You could extract snapshots and perform single point calculations with the QM/MM interface to external QM programs like Gaussian or Orca, and use software that can visualize orbitals / electron density for one of these codes.
All the best,
Andy
—
Dr. Andreas W. Goetz
Assistant Project Scientist
San Diego Supercomputer Center
Tel: +1-858-822-4771
Email: agoetz.sdsc.edu
Web: www.awgoetz.de
> On Jun 14, 2016, at 7:26 PM, Nisler, Collin R. <nisler.1.buckeyemail.osu.edu> wrote:
>
> Hello all, I have run a few QM/MM simulations and I was just wondering if there was a way to visualize the orbitals (or electrons) using VMD or some other such software? I guess basically I'm wondering if any files are generated that contain orbital information when using the built in QM/MM function? I have checked the manual and was unable to find any information there. Thanks.
>
>
> Collin
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Received on Tue Jun 14 2016 - 20:00:02 PDT
