g_dist(1)
NAME
g_dist - calculates the distances between the centers of mass of two
groups
SYNOPSIS
g_dist -f traj.xtc -s topol.tpr -n index.ndx -o dist.xvg -[no]h -nice int -b time -e time -dt time -[no]xvgr -dist real
DESCRIPTION
g_dist can calculate the distance between the centers of mass of two
groups of atoms as a function of time. The total distance and its x, y
and z components are plotted.
Or when -dist is set, print all the atoms in group 2 that are closer
than a certain distance to the center of mass of group 1.
Other programs that calculate distances are g_mindist
and g_bond
FILES
- -f traj.xtc Input
- Generic trajectory: xtc trr trj gro g96 pdb
- -s topol.tpr Input
- Generic run input: tpr tpb tpa xml
- -n index.ndx Input, Opt.
- Index file
- -o dist.xvg Output, Opt.
- xvgr/xmgr file
OTHER OPTIONS
- -[no]h no
- Print help info and quit
- -nice int 19
- Set the nicelevel
- -b time 0
- First frame (ps) to read from trajectory
- -e time 0
- Last frame (ps) to read from trajectory
- -dt time 0
- Only use frame when t MOD dt = first time (ps)
- -[no]xvgr yes
- Add specific codes (legends etc.) in the output xvg files for the
- xmgrace program
- -dist real 0
- Print all atoms in group 2 closer than dist to the center of mass of
- group 1
SEE ALSO
- More information about the GROMACS suite is available in /usr/share/doc/gromacs or at <http://www.gromacs.org/>.