gmx-report-methods1
Write short summary about the simulation setup to a text file and/or to the standard output.
Usage
gmx report-methods [-s [<.tpr/.gro/...>]] [-m [<.tex>]] [-o [<.out>]]
Overview
gmx report-methods reports basic system information for the run input file specified with -s either to the terminal, to a LaTeX formatted output file if run with the -m option or to an unformatted file with the -o option. The functionality has been moved here from its previous place in gmx check.
Options
Options to specify input files:
- -s [<.tpr/.gro/...>] (topol.tpr)
-
Run input file for report: tpr gro g96 pdb brk ent
Options to specify output files:
-m [<.tex>] (report.tex) (Optional)
|
LaTeX formatted report output |
|---|---|
-o [<.out>] (report.out) (Optional)
|
Unformatted report output to file |
Releases
4 releases since Debian 10 (Buster); the text changed 3 times.