NAME

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

       VERSION 4.6.5

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 -[no]intra -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.  The   -intra  switch  enables
       calculations  of  intramolecular  distances  avoiding distance calculation to its periodic
       images. For a proper function, the molecule in the input trajectory should be whole  (e.g.
       by  preprocessing  with   trjconv  -pbc)  or  a  matching topology should be provided. The
       -intra switch will only give meaningful results for intramolecular and not  intermolecular
       distances.

       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

       -[no]intrano
        Calculate distances without considering periodic boundaries, e.g. intramolecular.

       -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 2 Dec 2013                                g_dist(1)