Hi,
On Thu, May 23, 2013 at 11:28 AM, Duggan, Brendan <bmduggan.ucsd.edu> wrote:
> Using Karplus parameters in "/opt/amber12/dat/Karplus.txt"
This indicates you are using the default parameter file
($AMBERHOME/dat/Karplus.txt). You can add your parameters to that
file. Currently, the way the code is set up it will always use that
file if it is found. You can currently point it to a custom file by
unsetting AMBERHOME and setting an environment variable KARPLUS with
the absolute path to your custom parameter file. A future update will
make this process a bit easier.
-Dan
--
-------------------------
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
(801) 585-9119 (Fax)
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Received on Thu May 23 2013 - 13:00:02 PDT
