Re: [AMBER] Amber16 electric field parameters

From: David A Case <>
Date: Mon, 2 Oct 2017 09:46:12 -0400

On Mon, Oct 02, 2017, Alessandro Mariani wrote:

> Now i really do not understand why that "mol" is there.
> And, maybe, explain to me why to not use SI units in Amber?

Using SI would not help any here. To convert from kcal/mol to kcal, divide by
Avogadro's number. To convert kJ/mol to kJ, do the same thing.


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Received on Mon Oct 02 2017 - 07:00:02 PDT
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