Re: [AMBER] mm_pbsa.pl and MMPBSA.py issues in Amber-11

From: Jemmy Hu <jemmyhu.sharcnet.ca>
Date: Thu, 11 Nov 2010 14:46:35 -0500

Hi Jason,

Thank you for the python response.
Any idea for the perl script mm_pbsa.pl, why does it ask for "$HTMLPATH"?

Thanks,
Jemmy

>> 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
>
>

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Received on Thu Nov 11 2010 - 12:00:04 PST
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