gmx report-methods#


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


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 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