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
Created: January 27, 2022 07:53:46