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gmx-saltbr - Compute salt bridges

Description

gmxsaltbr plots the distance between all combination of charged groups as a function of time. The groups
       are  combined in different ways.  A minimum distance can be given (i.e. a cut-off), such that groups that
       are never closer than that distance will not be plotted.

       Output will be in a number of fixed filenames, min-min.xvg, plus-min.xvg and plus-plus.xvg, or files  for
       every  individual  ion  pair  if  the  -sep  option  is  selected.  In  this  case,  files  are  named as
       sb-(Resname)(Resnr)-(Atomnr).  There may be many such files.

Name

       gmx-saltbr - Compute salt bridges

Options

       Options to specify input files:

       -f[<.xtc/.trr/...>](traj.xtc)
              Trajectory: xtctrrcptgrog96pdbtng-s[<.tpr>](topol.tpr)
              Portable xdr run input file

       Other options:

       -b<time>(0)
              Time of first frame to read from trajectory (default unit ps)

       -e<time>(0)
              Time of last frame to read from trajectory (default unit ps)

       -dt<time>(0)
              Only use frame when t MOD dt = first time (default unit ps)

       -t<real>(1000)
              Groups that are never closer than this distance are not plotted

       -[no]sep(no)
              Use separate files for each interaction (may be MANY)

See Also

gmx(1)

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

Synopsis

          gmx saltbr [-f[<.xtc/.trr/...>]] [-s[<.tpr>]] [-b<time>] [-e<time>]
                     [-dt<time>] [-t<real>] [-[no]sep]

See Also