gmx_mmpbsa error

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Fatma Glal

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May 5, 2022, 8:49:55 AM5/5/22
to gmx_MMPBSA
How can I solve this error:
 File "/share/apps/conda_envs/gmxMMPBSA/bin/gmx_MMPBSA", line 8, in <module>
    sys.exit(gmxmmpbsa())
  File "/share/apps/conda_envs/gmxMMPBSA/lib/python3.9/site-packages/GMXMMPBSA/app.py", line 113, in gmxmmpbsa
    app.write_final_outputs()
  File "/share/apps/conda_envs/gmxMMPBSA/lib/python3.9/site-packages/GMXMMPBSA/main.py", line 601, in write_final_outputs
    write_outputs(self)
  File "/share/apps/conda_envs/gmxMMPBSA/lib/python3.9/site-packages/GMXMMPBSA/output_file.py", line 339, in write_outputs
    final_output.writeline(sys_norm.report_inconsistency())
  File "/share/apps/conda_envs/gmxMMPBSA/lib/python3.9/site-packages/GMXMMPBSA/output_file.py", line 668, in writeline
    self.write(line + ls)
TypeError: unsupported operand type(s) for +: 'NoneType' and 'str'
Exiting. All files have been retained.


This is my  input file mmpbsa.inp file
Thanks
mmpbsa.in

Mario Ernesto

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May 5, 2022, 8:57:02 AM5/5/22
to Fatma Glal, gmx_MMPBSA
Please, check this thread: 


This is a bug that we have corrected...

Cheers!


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