Man page - gmx-mk_angndx(1)
Packages contains this manual
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apt-get install gromacs-data
Manual
GMX-MK_ANGNDX
NAMESYNOPSIS
DESCRIPTION
OPTIONS
SEE ALSO
COPYRIGHT
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 distributions 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)
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