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GMX-MK_ANGNDX(1) GROMACS GMX-MK_ANGNDX(1)

gmx-mk_angndx - Generate index files for 'gmx angle'

gmx mk_angndx [-s [<.tpr>]] [-n [<.ndx>]] [-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 files:

Portable xdr run input file

Options to specify output files:

Index file

Other options:

Type of angle: angle, dihedral, improper, ryckaert-bellemans
-[no]hyd (yes)
Include angles with atoms with mass < 1.5
Ignore angles with atoms with mass < 1.5 and magnitude of their charge less than this value

gmx(1)

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2023, GROMACS development team

February 3, 2023 2022.5