GMX-RAMA(1)

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

💖 GMX-RAMA 💖 — that's gmx-rama(1) from the GROMACS manual, bestie

okay so. GROMACS? iconic. gmx-rama? the moment. this lil tool is your phi/psi bestie and she is thriving.

✨ NAME ✨

gmx-rama — Compute Ramachandran plots 🌀

✨ SYNOPSIS ✨

gmx rama [-f [<.xtc/.trr/...>]] [-s [<.tpr>]] [-o [<.xvg>]] [-b <time>]
         [-e <time>] [-dt <time>] [-[no]w] [-xvg <enum>]

✨ DESCRIPTION ✨

so what does she DO. gmx rama goes into your topology file, pulls out the phi/psi dihedral combinations, and computes them as a function of time. that's it. that's the whole personality and it ATE. 🔥

and here's the cute part: because the output is friendly to plain text tooling, you can use simple Unix tools like grep to select out specific residues. literally just vibes and grep. 💅

✨ OPTIONS ✨

🎀 Options to specify input files

  • -f [<.xtc/.trr/...>] (traj.xtc) — the Trajectory file: xtc trr cpt gro g96 pdb tng h5md 🌈
  • -s [<.tpr>] (topol.tpr) — Portable xdr run input file 👑

🦋 Options to specify output files

  • -o [<.xvg>] (rama.xvg) — xvgr/xmgr file 📈

🌸 Other options

  • -b <time> (0) — Time of first frame to read from trajectory (default unit ps) ⏰
  • -e <time> (0) — Time of last frame to read from trajectory (default unit ps) 🕰️
  • -dt <time> (0) — Only use frame when t MOD dt = first time (default unit ps) ⏳
  • -[no]w (no) — View output .xvg, .xpm, .eps and .pdb files 👀
  • -xvg <enum> (xmgrace) — xvg plot formatting: xmgrace, xmgr, none 🎨

💜 SEE ALSO 💜

More information about GROMACS is available at <http://www.gromacs.org/>. 🫶

2026, GROMACS development team

okay that's the whole thing, no cap. 💖 this is version 2026.4, dated Oct 02, 2026 — go plot some phi/psi angles, bestie, you're gonna slay. ✨🦋🎀

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