gmx-mk_angndx (1)

gmx mk_angndx [-s [<.tpr/.tpb/...>]] [-n [<.ndx>]] [-nice <int>]

             [-type <enum>] [-[no]hyd] [-hq <real>]

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 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

gromacs(7)

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