Please ignore my comment. I did not see 'new prompt' in your reply.
On Tuesday, November 24, 2015, Nhai <nhai.qn.gmail.com> wrote:
> 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 <javascript:;>> 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 <javascript:;>>
> > 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 <javascript:;>> 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 <javascript:;>
> >> http://lists.ambermd.org/mailman/listinfo/amber
> >
> >
> >
> > --
> > T. Dwight McGee Jr.
> >
> > dwight.mcgee.gmail.com <javascript:;>
> >
> > "Problems cannot be solved at the same level of awareness that created
> > them."
> > Albert Einstein
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org <javascript:;>
> > http://lists.ambermd.org/mailman/listinfo/amber
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org <javascript:;>
> > http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Tue Nov 24 2015 - 17:00:07 PST
