I won't elaborate too much, as I am not familiar with Amoeba in Amber, but
my understanding is that this portion of the code is not an active area for
us. The OpenMM package may provide more of what you are looking for--they
do have an Amoeba implementation for GPUs that does somewhat better than
the existing CPU pmemd. Don't know if they can do TI with it yet, but I'm
sure they're interested in that sort of thing.
Dave
On Sun, Apr 10, 2016 at 8:13 PM, Jason Swails <jason.swails.gmail.com>
wrote:
> On Sun, Apr 10, 2016 at 6:07 PM, Sumsamber Lee <sumsamber.gmail.com>
> wrote:
>
> > Is it possible to run TI with pmemd using the AMOEBA force field?
> >
>
> No.
>
> All the best,
> Jason
>
> --
> Jason M. Swails
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>
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Received on Sun Apr 10 2016 - 20:00:03 PDT
