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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--
-------------------------
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 Wed Aug 03 2016 - 22:00:02 PDT
