Re: [AMBER] Energy unit in sqm

From: Brian Radak <radak004.umn.edu>
Date: Tue, 18 Mar 2014 10:03:12 -0400

The default output should be pretty clearly labelled as being in eV or else
hartree. I don't remember exactly because I always change the verbosity
setting (I like verbosity = 4) to get other units, including kcal/mol.

Regards,
Brian


On Tue, Mar 18, 2014 at 5:12 AM, Jacopo Sgrignani <sgrigna.gmail.com> wrote:

> Dear all
> I'm using sqm to do some single point calculations and I have a doubt .
> Which is the energy unit in sqm? Kcal/mol?
>
>
> Thanks
>
> Jacopo
>
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Received on Tue Mar 18 2014 - 07:30:02 PDT