Hi Dwight,
I previously had in my .bashrc file:
test -f /usr/local/amber14/amber.sh && source /usr/local/amber14/amber.sh
So I tried I commenting it out, adding the line as you had written, running MMPBSA.py in new prompt with the .bashrc file changes, and I still received the same Import Error message.
Best,
Nick
________________________________________
From: Dwight McGee <dwight.mcgee.gmail.com>
Sent: Tuesday, November 24, 2015 7:30 PM
To: AMBER Mailing List
Subject: Re: [AMBER] Import error when running MMPBSA.py
Hi Nick,
Be sure you have *source $AMBERHOME/amber.sh *in your .bashrc and that
should resolve the problem.
Cheers,
Dwight
On Tue, Nov 24, 2015 at 5:00 PM, Cockroft, Nicholas T. <
cockroft.1.buckeyemail.osu.edu> wrote:
> Hi,
>
>
> After running an MD simulation I wanted to perform an energy calculation
> using MMPBSA.py. However, when I attempt to run MMPBSA.py I get the
> following import error:
>
>
> Traceback (most recent call last):
> File "/usr/local/amber14/bin/MMPBSA.py", line 38, in <module>
> from MMPBSA_mods.exceptions import MMPBSA_Error, InputError,
> CommandlineError
> ImportError: No module named MMPBSA_mods.exceptions
>
>
> I am using Amber14 and AmberTools15. Any help to resolve this error is
> greatly appreciated.
>
>
> Best,
>
> Nick
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
T. Dwight McGee Jr.
dwight.mcgee.gmail.com
"Problems cannot be solved at the same level of awareness that created
them."
Albert Einstein
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Received on Tue Nov 24 2015 - 17:00:05 PST
