1 .TH g_dist 1 "Mon 4 Apr 2011" "" "GROMACS suite, VERSION 4.5.4-dev-20110404-bc5695c"
3 g_dist - calculates the distances between the centers of mass of two groups
5 .B VERSION 4.5.4-dev-20110404-bc5695c
9 .BI "\-s" " topol.tpr "
10 .BI "\-n" " index.ndx "
11 .BI "\-o" " dist.xvg "
12 .BI "\-lt" " lifetime.xvg "
14 .BI "\-[no]version" ""
22 \&\fB g_dist\fR can calculate the distance between the centers of mass of two
23 \&groups of atoms as a function of time. The total distance and its
24 \&\fI x\fR\-, \fI y\fR\-, and \fI z\fR\-components are plotted.
27 \&Or when \fB \-dist\fR is set, print all the atoms in group 2 that are
28 \&closer than a certain distance to the center of mass of group 1.
31 \&With options \fB \-lt\fR and \fB \-dist\fR the number of contacts
32 \&of all atoms in group 2 that are closer than a certain distance
33 \&to the center of mass of group 1 are plotted as a function of the time
34 \&that the contact was continously present.
37 \&Other programs that calculate distances are \fB g_mindist\fR
42 Trajectory: xtc trr trj gro g96 pdb cpt
44 .BI "\-s" " topol.tpr"
46 Run input file: tpr tpb tpa
48 .BI "\-n" " index.ndx"
56 .BI "\-lt" " lifetime.xvg"
62 Print help info and quit
64 .BI "\-[no]version" "no "
65 Print version info and quit
67 .BI "\-nice" " int" " 19"
70 .BI "\-b" " time" " 0 "
71 First frame (ps) to read from trajectory
73 .BI "\-e" " time" " 0 "
74 Last frame (ps) to read from trajectory
76 .BI "\-dt" " time" " 0 "
77 Only use frame when t MOD dt = first time (ps)
79 .BI "\-xvg" " enum" " xmgrace"
80 xvg plot formatting: \fB xmgrace\fR, \fB xmgr\fR or \fB none\fR
82 .BI "\-dist" " real" " 0 "
83 Print all atoms in group 2 closer than dist to the center of mass of group 1
88 More information about \fBGROMACS\fR is available at <\fIhttp://www.gromacs.org/\fR>.