GMX-MK_ANGNDX(1)

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

✨ gmx-mk_angndx ✨

okay bestie, gather round 💖 this is the GROMACS manual page for gmx-mk_angndx, section 1 of the manual, and it's literally the little helper that makes index files for gmx angle. yes, that one. the angle-distribution one. she's not the star of the show but she's the one who does the star's hair, y'know? 🎀

🌸 NAME 🌸

gmx-mk_angndx — generate index files for gmx angle 💅

🦋 SYNOPSIS 🦋

gmx mk_angndx [-s [<.tpr>]] [-n [<.ndx>]] [-type <enum>] [-[no]hyd]
             [-hq <real>]

👑 DESCRIPTION 👑

so gmx mk_angndx makes an index file for calculation of angle distributions etc. 🫶 like, that's her whole job. that's the assignment, and she ate.

she uses a run input file (.tpx) for the definitions of the angles, dihedrals etc. — so all the actual angle math vibes come from there, and she just packages them up nicely into an index file for you. iconic behavior, no notes 💖

💅 OPTIONS 💅

🌈 Options to specify input files:

  • -s [<.tpr>] (default topol.tpr) — your Portable xdr run input file, aka the .tpx. she reads the angle definitions from here 🧚

🍓 Options to specify output files:

  • -n [<.ndx>] (default angle.ndx) — the index file she's gonna write for you ✨

🔥 Other options:

  • -type <enum> (default angle) — the type of angle. the options are angle, dihedral, improper, ryckaert-bellemans. pick your fighter 💀
  • -[no]hyd (default yes) — include angles with atoms with mass < 1.5. yes bestie, hydrogen-coded atoms. that's the hyd. iykyk.
  • -hq <real> (default -1) — ignore angles with atoms with mass < 1.5 and magnitude of their charge less than this value. so it's a little quality filter for the smol squishy atoms 🫧

💜 SEE ALSO 💜

More information about GROMACS is available at <http://www.gromacs.org/>. go look, she's got lore 🌐

2026, GROMACS development team. periodt.

lowkey a reminder that this is 2026.4, dated Oct 02, 2026, straight from the GROMACS manual — count your index files, hydrate, and stan a well-organized angle distribution 💖✨🦋
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