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
Actually, the file $AMBERHOME/dat/Karplus.txt is the one I created and that cpptraj does not like. My installation did not include a Karplus.txt file in $AMBERHOME/dat. Do you have a Karplus.txt file that works and that you could send me?
Brendan
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Received on Fri May 24 2013 - 13:30:03 PDT
