The interface is based on Orca 3.0.3. But, as far as I can see, it should also work for Orca 4.0.0. If you have special requirements for your input you can awlays use a template input file (orc_job.tpl).
All the best,
Andy
—
Dr. Andreas W. Goetz
Assistant Research Scientist
San Diego Supercomputer Center
Tel: +1-858-822-4771
Email: agoetz.sdsc.edu
Web: www.awgoetz.de
> On Jul 19, 2017, at 10:03 AM, James Kress <jimkress_58.kressworks.org> wrote:
>
> Has the Amber Orca interface for QM/MM been updated to reflect the changes
> in the Orca input keywords, especially the methods and basis set
> specifications?
>
> Thanks.
>
> Jim Kress
>
>
>
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Received on Wed Jul 19 2017 - 13:30:02 PDT
