Scroll to navigation

mk_angndx(1) GROMACS suite, VERSION 4.5.4-dev-20110404-bc5695c mk_angndx(1)

NAME

mk_angndx - generates index files for g_angle
 
VERSION 4.5.4-dev-20110404-bc5695c

SYNOPSIS

mk_angndx -s topol.tpr -n angle.ndx -[no]h -[no]version -nice int -type enum -[no]hyd -hq real

DESCRIPTION

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.

FILES

-s topol.tpr Input
Run input file: tpr tpb tpa
 
-n angle.ndx Output
Index file
 

OTHER OPTIONS

-[no]hno
Print help info and quit
 
-[no]versionno
Print version info and quit
 
-nice int 0
Set the nicelevel
 
-type enum angle
Type of angle: angle, dihedral, improper or ryckaert-bellemans
 
-[no]hydyes
Include angles with atoms with mass 1.5
 
-hq real -1
Ignore angles with atoms with mass 1.5 and |q| hq
 

SEE ALSO

gromacs(7)
 
More information about GROMACS is available at <http://www.gromacs.org/>.
Mon 4 Apr 2011