GMX-REPORT-METHODS(1)

📦
version 2026.4 · 8 versions
, in nixpkgs unstable, ubuntu stonking

💖 GMX-REPORT-METHODS 💖

okay bestie, so this little icon is from the GROMACS manual — gmx-report-methods(1) — and she's here to write you a short summary about your simulation setup, either to a text file or straight to your terminal. or both. she's flexible like that ✨

🌸 NAME 🌸

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

like literally, she spills the tea about your system setup. no cap.

✨ SYNOPSIS ✨

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

three options, all optional, all adorable. let's get into it 🫶

🦋 DESCRIPTION 🦋

so here's the vibe: gmx report-methods reports basic system information for the run input file you specify with -s. where does that info go? your choice, bestie:

  • to the terminal (default behavior, main character energy 👑),
  • to a LaTeX formatted output file if you run it with the -m option,
  • to an unformatted file with the -o option.

and the plot twist — this functionality has been moved here from its previous place in gmx check. so if you were looking for it over there, that's why you couldn't find it. she moved out, got her own place, new phone, who dis 💅

💜 OPTIONS 💜

🎀 Options to specify input files 🎀

  • -s [<.tpr/.gro/...>] (topol.tpr) — run input file for report: tpr gro g96 pdb brk ent
ngl the default is topol.tpr, and she'll happily eat any of tpr, gro, g96, pdb, brk, or ent files. so many flavors, so little time 🔥

🍓 Options to specify output files 🍓

  • -m [<.tex>] (report.tex) (Optional) — LaTeX formatted report output
  • -o [<.out>] (report.out) (Optional) — unformatted report output to file
both of these are optional, btw. skip them and she just yells your report at the terminal like the icon she is. include them and you get actual files. your call 🌈

🌟 SEE ALSO 🌟

more info about GROMACS is available at <http://www.gromacs.org/> — go check her out, the website ate 💖

2026, GROMACS development team

okay that's the whole page, no crumbs left, periodt 💅 this was GROMACS 2026.4, dated Oct 02, 2026, and yeah — that's genuinely the entire manual page. go write some reports bestie 🧚‍♀️💖✨

📦 where this page comes from