Hi every one,
I am trying to run “ante-MMPBSA.py” file for prmtop files generation. When I run the command I received following errors:
File "/home/ssbio/AMBERCUDA/Amber20GPU/bin/ante-MMPBSA.py", line 5, in <module>
from MMPBSA_mods.findprogs import which
ModuleNotFoundError: No module named 'MMPBSA_mods'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "/home/ssbio/AMBERCUDA/Amber20GPU/bin/ante-MMPBSA.py", line 9, in <module>
raise ImportError('Could not import Amber Python modules. Please make sure '
ImportError: Could not import Amber Python modules. Please make sure you have sourced /home/ssbio/AMBERCUDA/Amber20GPU/amber.sh/amber.sh (if you are using sh/ksh/bash/zsh) or /home/ssbio/AMBERCUDA/Amber20GPU/amber.sh/amber.csh (if you are using csh/tcsh)”
My AMBERHOME path is /home/ssbio/AMBERCUDA/Amber20GPU/amber.sh
Ans echo $PYTHONPATH=/home/ssbio/AMBERCUDA/Amber20GPU/bin
Please help me to resolve this error.
Thank you
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Received on Wed Feb 03 2021 - 01:00:02 PST
