gmx mk_angndx

Main Table of Contents VERSION 5.0.1


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


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 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