Re: [AMBER] mmbpsa.py error

From: David Case <david.case.rutgers.edu>
Date: Wed, 6 Nov 2019 01:45:29 +0000

On Tue, Nov 05, 2019, Alen Ahmetovic wrote:
>
>I'm having trouble running mmpbsa.py on my windows 10 pc using ubuntu. I
>just managed to finish installing amber18 today after some trouble,

We have very few Windows users, so getting experience might help. If
you remember what trouble you had, and how you fixed it, let us know. I
can post it on the web page, and others may benefit.

>ImportError: Could not import Amber Python modules.

The key variable here is PYTHONPATH: it should be set (by the amber.sh
script) to include $AMBERHOME/lib/python2.7/site-packages. If it looks
like the variable is set correctly, look in that directory. You should
see a file like MMPBSA.py-16.0-py2.7.egg-info, and other amber-related
files. The problem may be deeper than this, but looking at these two
items is a good first step.

...good luck....dac


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Received on Tue Nov 05 2019 - 18:00:02 PST
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