debian man page for g_dist

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

NAME
       g_dist - calculates the distances between the centers of mass of two groups

       VERSION 4.5.4-dev-20110404-bc5695c

SYNOPSIS
       g_dist  -f traj.xtc -s topol.tpr -n index.ndx -o dist.xvg -lt lifetime.xvg -[no]h -[no]version -nice int -b time -e time -dt time -xvg enum
       -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.

       With  options   -lt and	-dist the number of contacts of all atoms in group 2 that are closer than a certain distance to the center of mass
       of group 1 are plotted as a function of the time that the contact was continuously present.

       Other programs that calculate distances are  g_mindist and  g_bond.

FILES
       -f traj.xtc Input
	Trajectory: xtc trr trj gro g96 pdb cpt

       -s topol.tpr Input
	Run input file: tpr tpb tpa

       -n index.ndx Input, Opt.
	Index file

       -o dist.xvg Output, Opt.
	xvgr/xmgr file

       -lt lifetime.xvg Output, Opt.
	xvgr/xmgr file

OTHER OPTIONS
       -[no]hno
	Print help info and quit

       -[no]versionno
	Print version 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)

       -xvg enum xmgrace
	xvg plot formatting:  xmgrace,	xmgr or  none

       -dist real 0
	Print all atoms in group 2 closer than dist to the center of mass of group 1

SEE ALSO
       gromacs(7)

       More information about GROMACS is available at <http://www.gromacs.org/>.

								  Mon 4 Apr 2011							 g_dist(1)