Re: [AMBER] MMPBSA ImportError

From: David A Case <david.case.rutgers.edu>
Date: Thu, 4 Feb 2016 17:50:28 -0500

On Thu, Feb 04, 2016, Joseph Baker wrote:

> I looked in the config.h in my amber directory, and I did not see the
> PYTHON_INSTALL variable in there. The PYTHON path in config.h is
>
> #Python interpreter we are using
> PYTHON=/usr/bin/python2.6

OK: my fault. The PYTHON_INSTALL variable has been added since AmberTools15
was released.

> So I just execute that as root and it runs ./update_amber and the
> ./configure script and make commands to compile everything. I still had to
> do the manual make_install inside of the MMPBSA directory to get that to
> update.

This is odd, since I think no one has reported this problem before. There is
a possibility that the Exxact configuration is odd in some subtle way. Or
there is something else wrong.

Since your problem seems have been fixed (by you), and since the way in which
we handle python will be very different in the upcoming release, I'm inclined
to wait to see if others report the same problem. (Jason may have some ideas
here.)

Thanks for the report...regards...dac


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Received on Thu Feb 04 2016 - 15:00:03 PST
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