error with opening gmx_MMPBSA_ana

30 views
Skip to first unread message

Divpreet kaur

unread,
Oct 1, 2023, 5:50:31 AM10/1/23
to gmx_MMPBSA
Hi! My mmpbsa calculation has completed but i have encountered several errors in opening gmx_MMPBSA_ana as below.
The conda list output asked by you is also attached in the trail.
I request you to please help me resolve the same.
I would be really grateful

Regards
Divpreet
mmpbsa_ana error.jpg

Divpreet kaur

unread,
Oct 1, 2023, 5:51:13 AM10/1/23
to gmx_MMPBSA
The conda list output
2_condalist_output.jpg
1_condalist_output.jpg
3_condalist_output.jpg

Divpreet kaur

unread,
Oct 4, 2023, 10:54:39 AM10/4/23
to gmx_MMPBSA
Hi! can you please help me resolve the above error. I am still not able to open gmx_MMPBSA_ana to analyze my results.

On Sunday, October 1, 2023 at 3:20:31 PM UTC+5:30 Divpreet kaur wrote:

Mario Sergio Valdes

unread,
Oct 4, 2023, 11:45:59 AM10/4/23
to gmx_MMPBSA
Please, try to update the PyQt5 package
- activate the gmxMMPBSA environment
- run python -m pip install -U pyqt5

Reply all
Reply to author
Forward
0 new messages