NAME¶

gmx-mk_angndx - Generate index files for 'gmx angle'

SYNOPSIS¶

gmx mk_angndx [-s [<.tpr/.tpb/...>]] [-n [<.ndx>]] [-nice <int>]
[-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 and output files: -s [<.tpr/.tpb/...>] (topol.tpr) (Input)
Run input file: tpr tpb tpa -n [<.ndx>] (angle.ndx) (Output)
Index file Other options: -nice <int> (0)
Set the nicelevel -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¶

gromacs(7) More information about GROMACS is available at <http://www.gromacs.org/>.