Skip to content

Command-line

gmx_MMPBSA_ana command-line

$ gmx_MMPBSA_ana -h

usage: run_ana.py [-h] [-v] [-f [FILES [FILES ...]]] [-r]

This program is part of gmx_MMPBSA and will show a workspace to analyze the 
gmx_MMPBSA results

optional arguments:
  -h, --help            show this help message and exit
  -v, --version         show program's version number and exit

Info file:
  -f [FILES [FILES ...]], --files [FILES [FILES ...]]
                        gmx_MMPBSA info files or container folder or list of 
                        them (default: [.] Current working dir)
  -r, --recursive       Search recursively in this folder at depth = 1 
                        (default: False)

gmx_MMPBSA is an effort to implement the GB/PB and others calculations in GROMACS. 
Based on MMPBSA.py (version 16.0) and AmberTools20

Last update: June 5, 2022 23:36:16
Created: January 27, 2022 07:53:46
Back to top