gmx mk_angndx¶
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