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gmx-mk_angndx(1)                GROMACS Manual                gmx-mk_angndx(1)

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/>. VERSION 5.0.6 gmx-mk_angndx(1)

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