Re: [AMBER] error in runing mdout_analyzer.py

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Thu, 4 Aug 2016 09:05:51 -0600

I would suggest upgrading to AmberTools 16. It handles python in a way
that should be easier for most users.

-Dan

On Wed, Aug 3, 2016 at 10:39 PM, nida baig <baignida05.yahoo.com> wrote:
> Thanks for the quick reply. Unfortunately, I have done the sourcing but still I am not able to execute the command. I was wondering is it the error in the installation of the python library. Dr Nida Baig
>
>
>
> On Thursday, August 4, 2016 9:25 AM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
>
>
> As the error message suggests, did you try sourcing
> "/usr/local/amber14/amber.sh (if you are using sh/ksh/bash/zsh) or
> /usr/local/amber14/amber.csh (if you are using csh/tcsh)"?
>
> -Dan
>
> On Wed, Aug 3, 2016 at 10:10 PM, nida baig <baignida05.yahoo.com> wrote:
>> Dear Amber users,
>> In running minimization step of constant pH simulation when I am trying to graph the energies using the following
>>
>> mdout_analyzer.py 4LYT.min.mdou
>> I get the following error
>>
>> Traceback (most recent call last):
>> File "/usr/local/amber14/bin/mdout_analyzer.py", line 18, in <module>
>> (amberhome, amberhome))
>> ImportError: Could not import Amber Python modules. Please make sure you have sourced /usr/local/amber14/amber.sh (if you are using sh/ksh/bash/zsh) or /usr/local/amber14/amber.csh (if you are using csh/tcsh)
>> I was wondering can anyone help me resolving the issue. Is it the issue with the amber installation or other than that. In either case please guide to solve this error.
>> Thanks,
>> Dr Nida Baig
>>
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>> http://lists.ambermd.org/mailman/listinfo/amber
>
>
>
> --
> -------------------------
> Daniel R. Roe, PhD
> Department of Medicinal Chemistry
> University of Utah
> 30 South 2000 East, Room 307
> Salt Lake City, UT 84112-5820
> http://home.chpc.utah.edu/~cheatham/
> (801) 587-9652
> (801) 585-6208 (Fax)
>
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>
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>
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-- 
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Thu Aug 04 2016 - 08:30:04 PDT
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