Re: [AMBER] ModuleNotFoundError: No module named 'MMPBSA_mods'

From: David A Case <>
Date: Wed, 3 Feb 2021 08:47:56 -0500

On Wed, Feb 03, 2021, Ch Bilal wrote:

>I am trying to run “” file for prmtop files generation. When
>I run the command I received following errors:
>ImportError: Could not import Amber Python
>modules. Please make sure you have sourced
>/home/ssbio/AMBERCUDA/Amber20GPU/ (if you are using
>sh/ksh/bash/zsh) or /home/ssbio/AMBERCUDA/Amber20GPU/ (if
>you are using csh/tcsh)”

Did you actually follow the instructions above?
>My AMBERHOME path is /home/ssbio/AMBERCUDA/Amber20GPU/
>Ans echo $PYTHONPATH=/home/ssbio/AMBERCUDA/Amber20GPU/bin

Both of the above are wrong. Type "source
/home/ssbio/AMBERCUDA/Amber20GPU/" to get the values that
you should be using. You should get something like this:

   AMBERHOME: /home/ssbio/AMBERCUDA/Amber20GPU/bin
   PYTHONPATH: /home/ssbio/AMBERCUDA/Amber20GPU/lib/python3.8/site-packages

(You may have a different version of python).

....good luck...dac

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Received on Wed Feb 03 2021 - 06:00:05 PST
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