logo
Free, unlimited AI code reviews that run on commit
git-lrc git-lrc GitHub Install Now We'd appreciate a star git-lrc - Free, unlimited AI code reviews that run on commit | Product Hunt git-lrc - Free, unlimited AI code reviews that run on commit | Product Hunt

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

Description

gmxmk_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.

Name

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

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/>.

Synopsis

          gmx mk_angndx [-s[<.tpr>]] [-n[<.ndx>]] [-type<enum>] [-[no]hyd]
                       [-hq<real>]

See Also