Hi,
> To Whom It May Concern:
>
> I could not find this information in the user manual. I apologize, if I
> missed it. What are the units of
>
> Etot = -19658.6364
In Amber, unless specifically stated otherwise, units of the output files
are kcal/mol. I'm not sure if this is stated clearly enough in the manual,
as you are not the first user to post this question.
Also, note that the total energy above is with respect to an arbitrary
zero point, so the number by itself is not very useful.
Kind Regards,
Thomas
Dr. Thomas Steinbrecher
formerly at the
BioMaps Institute
Rutgers University
610 Taylor Rd.
Piscataway, NJ 08854
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Received on Tue Apr 10 2012 - 06:30:04 PDT
