On Wed, Feb 3, 2016 at 12:02 AM, Joseph Baker <bakerj.tcnj.edu> wrote:
> Hi again,
>
> I was able to get the MMPBSA.py script to work by going explicitly into the
> /share/apps/amber14/AmberTools/src/mmpbsa_py/ directory and running make
> install as root
>
> Before this I had run update_amber and configure and made sure all patches
> were applied, etc., but it was not until explicitly going into the
> mmpbsay_py directory and running make install by hand that whatever was
> wrong got fixed.
>
> Does anyone know why this is the case?
>
That *shouldn't* be the case... Running "make install" inside $AMBERHOME
automatically runs "make install" inside all of the subdirectories (or the
equivalent of that). So I'm not sure why this worked and the normal
install didn't. (Note, after applying updates, you have to recompile for
the changes to take effect).
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Wed Feb 03 2016 - 05:00:06 PST
