Hi
Make sure to 'source .bashrc' after updating.
Hai
> On Nov 24, 2015, at 7:41 PM, Cockroft, Nicholas T. <cockroft.1.buckeyemail.osu.edu> wrote:
>
> 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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> http://lists.ambermd.org/mailman/listinfo/amber
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Received on Tue Nov 24 2015 - 17:00:06 PST
