Error with GBNRS6 and 3D-RISM

[Janus Quiambao]

Hello!

I was trying to do GBNRS6 and 3D-RISM calculations using the examples provided, but error occurred. This is for GBNRS6:
[INFO   ] Loading and checking parameter files for compatibility...
  File "/home/jirquiambao/miniconda3/envs/gmxMMPBSA/bin/gmx_MMPBSA", line 8, in <module>
    sys.exit(gmxmmpbsa())
  File "/home/jirquiambao/miniconda3/envs/gmxMMPBSA/lib/python3.9/site-packages/GMXMMPBSA/app.py", line 100, in gmxmmpbsa
    app.file_setup()
  File "/home/jirquiambao/miniconda3/envs/gmxMMPBSA/lib/python3.9/site-packages/GMXMMPBSA/main.py", line 127, in file_setup
    create_inputs(INPUT, self.normal_system, self.pre)
  File "/home/jirquiambao/miniconda3/envs/gmxMMPBSA/lib/python3.9/site-packages/GMXMMPBSA/createinput.py", line 60, in create_inputs
    gbnsr6_mdin.make_mdin()
  File "/home/jirquiambao/miniconda3/envs/gmxMMPBSA/lib/python3.9/site-packages/GMXMMPBSA/createinput.py", line 315, in make_mdin
    self.mdin = Mdin(self.program)
  File "/home/jirquiambao/miniconda3/envs/gmxMMPBSA/lib/python3.9/site-packages/parmed/amber/mdin/mdin.py", line 92, in __init__
    raise InputError('Error: program (%s) unrecognized!' %
InputError: Error: program (gbnsr6) unrecognized!
Exiting. All files have been retained.

While this is for 3D-RISM:

INFO   ] Loading and checking parameter files for compatibility...
tets
  File "/home/jirquiambao/miniconda3/envs/gmxMMPBSA/bin/gmx_MMPBSA", line 8, in <module>
    sys.exit(gmxmmpbsa())
  File "/home/jirquiambao/miniconda3/envs/gmxMMPBSA/lib/python3.9/site-packages/GMXMMPBSA/app.py", line 100, in gmxmmpbsa
    app.file_setup()
  File "/home/jirquiambao/miniconda3/envs/gmxMMPBSA/lib/python3.9/site-packages/GMXMMPBSA/main.py", line 127, in file_setup
    create_inputs(INPUT, self.normal_system, self.pre)
  File "/home/jirquiambao/miniconda3/envs/gmxMMPBSA/lib/python3.9/site-packages/GMXMMPBSA/createinput.py", line 285, in create_inputs
    rism_mdin.make_mdin()
  File "/home/jirquiambao/miniconda3/envs/gmxMMPBSA/lib/python3.9/site-packages/GMXMMPBSA/createinput.py", line 323, in make_mdin
    self.mdin.change(self.parent_namelist[key], key, self.INPUT[self.namelist][self.name_map[key]])
  File "/home/jirquiambao/miniconda3/envs/gmxMMPBSA/lib/python3.9/site-packages/parmed/amber/mdin/mdin.py", line 316, in change
    raise InputError('Unknown namelist (%s)!' % namelist)
InputError: Unknown namelist (rism)!

What can I do to solve these errors?

Thank you in advance!

[Mario Sergio Valdes]

Please, update ParmEd following the instructions in the documentation