[Question]: No module name parmed

[Brandt84]

My Question is...

Hi, I installed gmx-MMPBSA and was trying to run the "gmx_MMPBSA_test". This error showed up:

[Brandt84]

ModuleNotFoundError: No module named 'parmed'

During handling of the above exception, another exception occurred:

Traceback (most recent call last): File "/home/brandt/.local/bin/gmx_MMPBSA_test", line 5, in from GMXMMPBSA.app import gmxmmpbsa_test File "/home/brandt/.local/lib/python3.8/site-packages/GMXMMPBSA/app.py", line 34, in raise ImportError('Could not import Amber Python modules. Please make sure ' ImportError: Could not import Amber Python modules. Please make sure you have sourced $AMBERHOME/amber.sh (if you are using sh/ksh/bash/zsh) or $AMBERHOME/amber.csh (if you are using csh/tcsh)

I saw that some people had the same problem and solved it with your help (issue #2 especifically. I could´nt follow, since I am new to this, and have trouble with the language and navegating through the commands and terminal. Could you give me a hand? Kind regards

[Valdes-Tresanco-MS]

It is probably because the PYTHONPATH variable does not include this path. Our recommendation is to install gmx_MMPBSA in a conda environment.

[Valdes-Tresanco-MS]

Closing due to inactivity. Reopen if necessary