Asking for help on error to start gmx_MMPBSA_ana

[Seman Faris]

Hi, i would like to ask for help regarding the error when i want to open gmx_MMPBSA_ana to analyze my result.

I shared a workstation with my colleagues. I successfully installed gmxMMPBSA before and its running good including gmxMMPBSA_ana.

However, suddenly it gaves error. the calculation was done but unable to open gmx_MMPBSA_ana.

I tried several solution being provided in this group including updating PyQt5 package, but its doesnt solve the error.

I really hope this problem can be solve. Thank you very much for your help.

These are the error and the log file.

(gmxMMPBSA) ivybridge@ivybridge-desktop:~/Faris/manualAlphafold/folDH/MD-complex/100ns/reserve/gromacs$ gmx_MMPBSA_ana
Traceback (most recent call last):
  File "/home/ivybridge/anaconda3/envs/gmxMMPBSA/bin/gmx_MMPBSA_ana", line 8, in <module>
    sys.exit(gmxmmpbsa_ana())
  File "/home/ivybridge/anaconda3/envs/gmxMMPBSA/lib/python3.9/site-packages/GMXMMPBSA/app.py", line 129, in gmxmmpbsa_ana
    from GMXMMPBSA.analyzer.gui import GMX_MMPBSA_ANA
  File "/home/ivybridge/anaconda3/envs/gmxMMPBSA/lib/python3.9/site-packages/GMXMMPBSA/analyzer/gui.py", line 32, in <module>
    from GMXMMPBSA.analyzer.plots import Tables
  File "/home/ivybridge/anaconda3/envs/gmxMMPBSA/lib/python3.9/site-packages/GMXMMPBSA/analyzer/plots.py", line 39, in <module>
    from matplotlib.backends.backend_qtagg import FigureCanvasQTAgg as FigureCanvas, NavigationToolbar2QT
ModuleNotFoundError: No module named 'matplotlib.backends.backend_qtagg'

[gmx_MMPBSA]

Please, downgrade matplotlib.

pip uninstall matplotlib

pip install matplotlib=3.5.2

[Seman Faris]

Thank you very much!!! the gmx_MMPBSA_ana now can be used..thank you!! I really appreciate your help!!!