[gmx-users] opls-aa, implicit solvent and GPUs

[Justin A. Lemkul]

Ehud Schreiber wrote:
> Hi,
> 
>  
> 
> I’m currently utilizing gromacs using the opls-aa forcefield in an 
> implicit-solvent setting.
> 
> Can any of the developers roughly predict in what version, and when, 
> will GPU acceleration be applicable for such work? I am afraid the 
> gromacs 4.6 roadmap webpage left me confused.
> 

You can do these simulations on GPU with the current version, or several of the 
previous releases.

-Justin

> By the way, the main roadmap webpage is totally outdated and needs 
> updating and cleaning…
> 
>  
> 
> Thanks,
> 
> Ehud.
> 
>  
> 

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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