Re: [AMBER] TI/FEP on GPU in Amber?

From: Adrian Roitberg <roitberg.ufl.edu>
Date: Fri, 30 Jun 2017 10:17:24 -0600

No at formal promise, but we are gearing out to release it when Amber18
comes out, usually around april next year.

adrian



On 6/30/17 10:15 AM, Hadházi Ádám wrote:
> Dear Amber Users,
>
>
>
> Do you know if there is an estimated release date of a GPU accelerated
> thermodynamic integration (TI) or free energy perturbation (FEP) in Amber?
>
>
>
> Thx
> Adam
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-- 
Dr. Adrian E. Roitberg
University of Florida Research Foundation Professor
Department of Chemistry
University of Florida
roitberg.ufl.edu
352-392-6972
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Received on Fri Jun 30 2017 - 09:30:03 PDT
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