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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 distribu- tions 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 2025, GROMACS development team 2025.0 Feb 10, 2025 GMX-MK_ANGNDX(1)
NAME | SYNOPSIS | DESCRIPTION | OPTIONS | SEE ALSO | COPYRIGHT
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