Synopsis
gmx mk_angndx [-s [<.tpr/.tpb/...>]] [-n [<.ndx>]] [-nice ]
[-type ] [-[no]hyd] [-hq ]
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 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
