gmx-mk_angndx - Generate index files for 'gmx angle'
Contents
Copyright
2025, GROMACS development team
2025.0 Feb 10, 2025 GMX-MK_ANGNDX(1)
Description
gmxmk_angndx makes an index file for calculation of angle distributions etc. It uses a run input file
(.tpx) for the definitions of the angles, dihedrals etc.
Name
gmx-mk_angndx - Generate index files for 'gmx angle'
Options
Options to specify input files:
-s[<.tpr>](topol.tpr)
Portable xdr run input file
Options to specify output files:
-n[<.ndx>](angle.ndx)
Index file
Other options:
-type<enum>(angle)
Type of angle: angle, dihedral, improper, ryckaert-bellemans
-[no]hyd(yes)
Include angles with atoms with mass < 1.5
-hq<real>(-1)
Ignore angles with atoms with mass < 1.5 and magnitude of their charge less than this value
See Also
gmx(1) More information about GROMACS is available at <http://www.gromacs.org/>.
Synopsis
gmx mk_angndx [-s[<.tpr>]] [-n[<.ndx>]] [-type<enum>] [-[no]hyd]
[-hq<real>]
