mk_angndx1
Generate index files for 'gmx angle'
Part of gmx-mk_angndx(1).
Usage
gmx mk_angndx
[-s
[<.tpr/.tpb/ ...
>]]
[-n
[<.ndx>]]
[-nice
<int>]
[-type
<enum>]
[-
[no]
hyd]
[-hq
<real>]
Overview
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 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
History
- Debian 8 (Jessie): the text shown here
- Debian 7 (Wheezy)
- Debian 6.0 (Squeeze)
- Debian 5.0 (Lenny)
- Debian 4.0 (Etch)