Hi, I am trying to do MM-PBSA analysis and found the following error below.
warnings.warn('receptor_mask overwritten with default\n')
File "/home/viswanathv/anaconda3/envs/AmberTools23/bin/MMPBSA.py", line 100, in <module>
app.run_mmpbsa()
File "/home/viswanathv/anaconda3/envs/AmberTools23/lib/python3.12/site-packages/MMPBSA_mods/main.py", line 224, in run_mmpbsa
self.calc_list.run(rank, self.stdout)
File "/home/viswanathv/anaconda3/envs/AmberTools23/lib/python3.12/site-packages/MMPBSA_mods/calculation.py", line 82, in run
calc.run(rank, stdout=stdout, stderr=stderr)
File "/home/viswanathv/anaconda3/envs/AmberTools23/lib/python3.12/site-packages/MMPBSA_mods/calculation.py", line 472, in run
error_list = [s.strip() for s in out.split('\n')
^^^^^^^^^^^^^^^
TypeError: a bytes-like object is required, not 'str'
Fatal Error!
All files have been retained for your error investigation:
You should begin by examining the output files of the first failed calculation.
Consult the "Temporary Files" subsection of the MMPBSA.py chapter in the
manual for file naming conventions.
Looking forward to help on this!
Regards,
Viswanath.V