gmx-mk_angndx(1) GROMACS Manual gmx-mk_angndx(1)NAMEgmx-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 distribu‐
tions 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 ALSOgromacs(7)
More information about GROMACS is available at <http://www.gro‐
macs.org/>.
VERSION 5.0.6gmx-mk_angndx(1)