Re: [AMBER] Question about Amber.

From: Carlos Simmerling <>
Date: Fri, 14 Sep 2018 08:17:15 -0400

We would need to know much more about what that data set was and how the
results differ.

Amber includes an extensive test set that differs from the calculations in
the benchmark page. Have you run the full test set?

On Fri, Sep 14, 2018, 8:08 AM Asier Zorrilla <>

> Hello.
> Our users have test a data set with Amber (same version Amber and
> Amber_tools) in two machines but they obtain two diferent results.
> My questions:
> - There is any way (beyond benchmark test) to verify that the
> installation is ok and that the obtained values are fiable?
> - Tested two systems have a GPU, both of them certified by you (GTX
> 1080 and GTX TITAN), is posible that the diferent results can be
> explained with this?
> Thank.
> Center of Excellence Severo Ochoa (2017-2021)
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Received on Fri Sep 14 2018 - 05:30:04 PDT
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