[Bug-gmx_MMPBSA]: gmx_MMPBSA: error: unrecognized arguments

[suruchi-25]

Bug summary

gmx_MMPBSA: error: unrecognized arguments

Terminal output

Check the gmx_MMPBSA.log file to report the problem.
  File "/apps/codes/anaconda3/envs/gmxMMPBSA/bin/gmx_MMPBSA", line 8, in <module>
    sys.exit(gmxmmpbsa())
  File "/apps/codes/anaconda3/envs/gmxMMPBSA/lib/python3.10/site-packages/GMXMMPBSA/app.py", line 64, in gmxmmpbsa
    app.get_cl_args(sys.argv[1:])
  File "/apps/codes/anaconda3/envs/gmxMMPBSA/lib/python3.10/site-packages/GMXMMPBSA/main.py", line 864, in get_cl_args
    self.FILES = self.clparser.parse_args(args)
  File "/apps/codes/anaconda3/envs/gmxMMPBSA/lib/python3.10/argparse.py", line 1836, in parse_args
    self.error(msg % ' '.join(argv))
  File "/apps/codes/anaconda3/envs/gmxMMPBSA/lib/python3.10/argparse.py", line 2594, in error
    self.exit(2, _('%(prog)s: error: %(message)s\n') % args)
  File "/apps/codes/anaconda3/envs/gmxMMPBSA/lib/python3.10/site-packages/GMXMMPBSA/commandlineparser.py", line 107, in exit
    GMXMMPBSA_ERROR(message)
  File "/apps/codes/anaconda3/envs/gmxMMPBSA/lib/python3.10/site-packages/GMXMMPBSA/exceptions.py", line 171, in __init__
    raise exc('\n\n' + msg + '\n\nCheck the gmx_MMPBSA.log file to report the problem.')
MMPBSA_Error: 

gmx_MMPBSA: error: unrecognized arguments: -f md_0_300_center150-300ns.xtc md_0_300.tpr index.ndx pbsa.mdp -pdie 2 -pbsa -decomp

Check the gmx_MMPBSA.log file to report the problem.

gmx_MMPBSA.log

gmx_MMPBSA.log

Operating system

ubuntu

gmx_MMPBSA Version

gmx_MMPBSA v1.6.3

Python version

Python 3.10.14

Installation

None

[marioernestovaldes]

It seems you are mixing command line from two programs. Check the commad line for gmx_MMPBSA here

https://valdes-tresanco-ms.github.io/gmx_MMPBSA/dev/gmx_MMPBSA_command-line/