Hi,
On Sun, May 25, 2014 at 7:28 AM, James Starlight <jmsstarlight.gmail.com> wrote:
>
> EAMD_BOOST = 3.6823
>
> does this value corresponded to the added dihedral term of all my system or
> to one degree of freedom residue ?
This is the total AMD boost applied to all dihedrals.
-Dan
>
> Also I'll be thankful if you provide me with some script suitable for
> calculation of averages of all output values like dihedral energy etc
>
>
> TFH,
>
> James
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--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
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Received on Tue May 27 2014 - 07:00:03 PDT
