Re: [AMBER] Reduced Units

From: David A Case <>
Date: Wed, 22 Sep 2021 07:39:37 -0400

On Wed, Sep 22, 2021, Chloe Jaiswal wrote:
>My name is Chloe Jaiswal and I am currently working on developing a
>simulation that needs reduced units. I have been looking through the AMBER
>documentation and browsing the web, but I have not seen much on reduced
>units. Is it possible to perform calculations in reduced units in AMBER? If
>so, is it possible to have the result file also be in reduced units?

No: what you describe is not possible in Amber. You would need to write
scripts to convert "your" input into Amber's internal units, and to convert
its output into your reduced units at the end.


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Received on Wed Sep 22 2021 - 05:00:02 PDT
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