On Mon, Sep 21, 2015 at 8:45 AM, Batuhan Kav <bkav13.ku.edu.tr> wrote:
> Dear Jason,
>
> Thank you for the answer. I checked the energies for both file sets and
> obtained 2.9871E+02 from one and 2.9268E+02 from the other. So, they are
> not identical, but since they are very close to each other, d o you
> think it will be safe to assume both files are the same?
>
No. They are definitely not the same. You can see where the differences
are by comparing the energy components.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Mon Sep 21 2015 - 07:00:03 PDT
