[gmx-users] Benchmarks v5.0

[Szilárd Páll]

Hi,

One of the systems is The Prace test case A
(http://www.prace-ri.eu/ueabs/), though the setup offered there is
only the vsites-enabled version.

Cheers,
--
Szilárd


On Wed, Jul 12, 2017 at 10:34 AM,  <jony.castagna at stfc.ac.uk> wrote:
> Hi there,
>   where can I find the benchmark input files for the 2 cases reported in this paper (ion channel and ethanol-water system)?
>
> http://www.gromacs.org/@api/deki/files/240/=gromacs-5.0-benchmarks.pdf
>
> Many thanks.
> Jony
>
> Dr Jony Castagna
> Sci-Tech Daresbury
> Keckwick Lane
> Daresbury
> Warrington
> WA4 4AD
> Tel.: +44 (0)1925 603682
>
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