Are you certain that you are using exactly the same parameter files to
create each?
On Mon, Sep 21, 2015 at 9:35 AM, Jason Swails <jason.swails.gmail.com> wrote:
> 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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--
:-) Lachele
Lachele Foley
CCRC/UGA
Athens, GA USA
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Received on Mon Sep 21 2015 - 07:00:04 PDT
