On Thu, Nov 11, 2010 at 12:52 PM, Jemmy Hu <jemmyhu.sharcnet.ca> wrote:
> Hello Everyone,
>
> We have some issues with mm-pbsa in Amber-11.
> When try to run mm-pbsa.pl in amber-11 on our Linux clusters, it gives:
>
> "$HTMLPATH" is not exported by the mm_pbsa_global module
>
> When try to run MMPBSA.py, it gives:
> Traceback (most recent call last):
> File "/opt/sharcnet/amber/11/bin/MMPBSA.py", line 44, in ?
> import inputparse, utils, alamdcrd # (2)
> ImportError: Bad magic number in /sharcnet/amber/11/bin/inputparse.pyc
>
This means that the Python used to create the compiled python modules
(*.pyc) is different than the python that's trying to run them. Make sure
that when you are using the same Python version to install MMPBSA.py as you
are when you're trying to use it. Also note that Python version 2.6 or
greater is required to run MMPBSA.py.
Good luck!
Jason
> What should I do to fix the problems?
>
> Thanks,
> Jemmy
>
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>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Thu Nov 11 2010 - 11:00:04 PST
