xenial (1) gmx-rama.1.gz

Provided by: gromacs-data_5.1.2-1ubuntu1_all bug

NAME

       gmx-rama - Compute Ramachandran plots

SYNOPSIS

          gmx rama [-f [<.xtc/.trr/...>]] [-s [<.tpr>]] [-o [<.xvg>]] [-b <time>]
                   [-e <time>] [-dt <time>] [-[no]w] [-xvg <enum>]

DESCRIPTION

       gmx  rama  selects  the  phi/psi  dihedral  combinations  from your topology file and computes these as a
       function of time.  Using simple Unix tools such as grep you can select out specific residues.

OPTIONS

       Options to specify input files:

       -f [<.xtc/.trr/...>] (traj.xtc)
              Trajectory: xtc trr cpt gro g96 pdb tng

       -s [<.tpr>] (topol.tpr)
              Portable xdr run input file

       Options to specify output files:

       -o [<.xvg>] (rama.xvg)
              xvgr/xmgr file

       Other options:

       -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)

       -[no]w (no)
              View output .xvg, .xpm, .eps and .pdb files

       -xvg <enum>
              xvg plot formatting: xmgrace, xmgr, none

SEE ALSO

       gmx(1)

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

       2015, GROMACS development team