07-11-2007
It's worth trying to build things yourself. Well packaged source normally has the following steps.
1. make new work directory
2. extract source in directory
3. run "./configure"
4. run "make"
5. run "make install"
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LEARN ABOUT DEBIAN
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)