Re: [AMBER] Thermodynamic Integration on GPU in AMBER16?

From: Daniel Mermelstein <danmermelstein35.gmail.com>
Date: Thu, 26 Jan 2017 18:58:21 -0800

Hi Adam,

It's not in AMBER16, but should be out soon-ish. Unfortunately I can't give
you a date yet because we're still working the actual release out and I'm
still fixing up some of the code.

Best,

Dan

On Thu, Jan 26, 2017 at 1:30 PM, Hadházi Ádám <hadadam.gmail.com> wrote:

> Hello,
>
> Can anyone tell me if Thermodynamic Integration is implemented for GPU run
> in AMBER16?
>
> Thx
> Adam
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>



-- 
Daniel J. Mermelstein, Ph.D candidate
McCammon & Walker Groups
Department of Chemistry & Biochemistry
University of California, San Diego
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Received on Thu Jan 26 2017 - 19:00:02 PST
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