GMX-RAMA(1) GROMACS GMX-RAMA(1)

gmx-rama - Compute Ramachandran plots

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


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 to specify input files:

Trajectory: xtc trr cpt gro g96 pdb tng
Portable xdr run input file

Options to specify output files:

xvgr/xmgr file

Other options:

Time of first frame to read from trajectory (default unit ps)
Time of last frame to read from trajectory (default unit ps)
Only use frame when t MOD dt = first time (default unit ps)
-[no]w (no)
View output .xvg, .xpm, .eps and .pdb files
xvg plot formatting: xmgrace, xmgr, none

gmx(1)

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2023, GROMACS development team

October 19, 2023 2023.3