table of contents
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 groupsSYNOPSIS¶
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 realDESCRIPTION¶
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.FILES¶
-f traj.xtc InputTrajectory: xtc trr trj gro g96 pdb cpt
Run input file: tpr tpb tpa
Index file
xvgr/xmgr file
xvgr/xmgr file
OTHER OPTIONS¶
-[no]hnoPrint help info and quit
Print version info and quit
Set the nicelevel
First frame (ps) to read from trajectory
Last frame (ps) to read from trajectory
Only use frame when t MOD dt = first time (ps)
xvg plot formatting: xmgrace, xmgr or none
Print all atoms in group 2 closer than dist to the center of mass of group 1
SEE ALSO¶
gromacs(7)Mon 4 Apr 2011 |