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gmx-rama(1)                     GROMACS Manual                     gmx-rama(1)

NAME

gmx-rama - Compute Ramachandran plots

SYNOPSIS

gmx rama [-f [<.xtc/.trr/...>]] [-s [<.tpr/.tpb/...>]] [-o [<.xvg>]] [-nice <int>] [-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 and output files: -f [<.xtc/.trr/...>] (traj.xtc) (Input) Trajectory: xtc trr cpt trj gro g96 pdb tng -s [<.tpr/.tpb/...>] (topol.tpr) (Input) Run input file: tpr tpb tpa -o [<.xvg>] (rama.xvg) (Output) xvgr/xmgr file Other options: -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) -[no]w (no) View output .xvg, .xpm, .eps and .pdb files -xvg <enum> (xmgrace) xvg plot formatting: xmgrace, xmgr, none

SEE ALSO

gromacs(7) More information about GROMACS is available at <http://www.gromacs.org/>. VERSION 5.0.6 gmx-rama(1)

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