Hi Filip,
It has now been implemented in both CPU and GPU PMEMD and will be available as part of the upcoming AMBER 16 release. The Amber 12 and 14 referred to in the paper is the vehicle by which the authors tested their implementation.
All the best
Ross
> On Nov 4, 2015, at 10:31, Filip Fratev <fratev.biomed.bas.bg> wrote:
>
> Hi all,
>
>
> Recently I read the article ”Gaussian Accelerated Molecular Dynamics:
> Unconstrained Enhanced Sampling and Free Energy Calculation “J. Chem.
> Theory Comput., 2015, 11 (8), pp 3584–3595. The authors claim that
> this method can be easily adapted to Amber 14 and already present in
> Amber 12. However, I was wondering whether the GaMD version is really
> implemented in both Amber 12 and 14 because I have never seen
> something mentioned about the GaMD in the manuals?
>
> Regards,
>
> Filip
>
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Received on Wed Nov 04 2015 - 11:00:05 PST
