DOKK / manpages / debian 12 / gromacs-data / gmx-report-methods.1.en
GMX-REPORT-METHODS(1) GROMACS GMX-REPORT-METHODS(1)

gmx-report-methods - Write short summary about the simulation setup to a text file and/or to the standard output.

gmx report-methods [-s [<.tpr/.gro/...>]] [-m [<.tex>]] [-o [<.out>]]


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 to specify input files:

Run input file for report: tpr gro g96 pdb brk ent

Options to specify output files:

LaTeX formatted report output
Unformatted report output to file

gmx(1)

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2023, GROMACS development team

February 3, 2023 2022.5