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
2020, GROMACS development team