Re: [AMBER] glycam parameter file

From: Jason Swails <jason.swails.gmail.com>
Date: Mon, 21 Sep 2015 09:35:01 -0400

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
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Sep 21 2015 - 07:00:03 PDT
Custom Search