other versions
- bookworm 2022.5-2
- testing 2024.4-1
- unstable 2024.4-1
- experimental 2025.0~beta-1
| GMX-REPORT-METHODS(1) | GROMACS | GMX-REPORT-METHODS(1) |
NAME¶
gmx-report-methods - Write short summary about the simulation setup to a text file and/or to the standard output.
SYNOPSIS¶
gmx report-methods [-s [<.tpr/.gro/...>]] [-m [<.tex>]] [-o [<.out>]]
DESCRIPTION¶
gmx report-methods reports basic system information for the run input file specfied 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
SEE ALSO¶
More information about GROMACS is available at <http://www.gromacs.org/>.
COPYRIGHT¶
2023, GROMACS development team
| February 3, 2023 | 2022.5 |