Provided by: gromacs-data_2023.1-2ubuntu1_all
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
gmx(1) More information about GROMACS is available at <http://www.gromacs.org/>.
COPYRIGHT
2023, GROMACS development team