Scroll to navigation

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

gmx(1)
More information about GROMACS is available at < http://www.gromacs.org/>.

COPYRIGHT

2018, GROMACS development team
June 14, 2018 2018.2