Re: [AMBER-Developers] QMMM test failures with PGI (sander bug 218), Amber14 RC 2

From: Gustavo Seabra <>
Date: Fri, 21 Mar 2014 10:50:41 -0300

On Mar 20, 2014, at 11:10 AM, Scott Brozell <> wrote:

> And when i leave Rutgers I shall travel at relativistic velocities
> (thus from many reference frames i shall then appear to accomplish nothing <.:.)

And in this case the semi-empirical QM/MM available in Amber will be of no help, since you will need a relativistic hamiltonian. Maybe the Gaussian/Amber interface can help…

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Received on Fri Mar 21 2014 - 07:00:02 PDT
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