What is the command line for the same?
When I try to run i got following error....
gmx_MMPBSA -O -i mmpbsa.in -cs md_0_200_final.tpr -ct final_10ns.xtc -ci index.ndx -cg 1 13 14 -cp topol.top -o FINAL_RESULTS_MMPBSA.dat -eo FINAL_RESULTS_MMPBSA.csv
tets
usage: gmx_MMPBSA [-h] [-v] [--input-file-help] [--create_input [{gb,pb,rism,ala,decomp,nmode,gbnsr6,all} ...]] [-O] [-prefix ]
[-i FILE] [-xvvfile XVVFILE] [-o FILE] [-do FILE] [-eo FILE] [-deo FILE] [-nogui] [-s] [-cs ]
[-ci ] [-cg index index] [-ct [TRJ ...]] [-cp ] [-cr ] [-rs ]
[-ri ] [-rg index] [-rt [TRJ ...]] [-rp ] [-lm ] [-ls ]
[-li ] [-lg index] [-lt [TRJ ...]] [-lp ] [--rewrite-output] [--clean]
[ERROR ] MMPBSA_Error
gmx_MMPBSA: error: unrecognized arguments: 14
Check the gmx_MMPBSA.log file to report the problem.
File "/home/skslab/miniconda3/envs/gmxMMPBSA_final/bin/gmx_MMPBSA", line 8, in
sys.exit(gmxmmpbsa())
File "/home/skslab/miniconda3/envs/gmxMMPBSA_final/lib/python3.9/site-packages/GMXMMPBSA/app.py", line 64, in gmxmmpbsa
app.get_cl_args(sys.argv[1:])
File "/home/skslab/miniconda3/envs/gmxMMPBSA_final/lib/python3.9/site-packages/GMXMMPBSA/main.py", line 865, in get_cl_args
self.FILES = self.clparser.parse_args(args)
File "/home/skslab/miniconda3/envs/gmxMMPBSA_final/lib/python3.9/argparse.py", line 1828, in parse_args
self.error(msg % ' '.join(argv))
File "/home/skslab/miniconda3/envs/gmxMMPBSA_final/lib/python3.9/argparse.py", line 2582, in error
self.exit(2, _('%(prog)s: error: %(message)s\n') % args)
File "/home/skslab/miniconda3/envs/gmxMMPBSA_final/lib/python3.9/site-packages/GMXMMPBSA/commandlineparser.py", line 107, in exit
GMXMMPBSA_ERROR(message)
File "/home/skslab/miniconda3/envs/gmxMMPBSA_final/lib/python3.9/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: 14
Check the gmx_MMPBSA.log file to report the problem.
Exiting. All files have been retained.
Kindly help me to rectify this?