| GMX-MK_ANGNDX(1) | GROMACS | GMX-MK_ANGNDX(1) |
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¶
gmx mk_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.
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¶
More information about GROMACS is available at <http://www.gromacs.org/>.
COPYRIGHT¶
2022, GROMACS development team
| November 16, 2022 | 2022.4 |