gmx-rama - Compute Ramachandran plots
Contents
Copyright
2025, GROMACS development team
2025.0 Feb 10, 2025 GMX-RAMA(1)
Description
gmxrama 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.
Name
gmx-rama - Compute Ramachandran plots
Options
Options to specify input files:
-f[<.xtc/.trr/...>](traj.xtc)
Trajectory: xtctrrcptgrog96pdbtng-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)
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)
-[no]w(no)
View output .xvg, .xpm, .eps and .pdb files
-xvg<enum>(xmgrace)
xvg plot formatting: xmgrace, xmgr, none
See Also
gmx(1) More information about GROMACS is available at <http://www.gromacs.org/>.
Synopsis
gmx rama [-f[<.xtc/.trr/...>]] [-s[<.tpr>]] [-o[<.xvg>]] [-b<time>]
[-e<time>] [-dt<time>] [-[no]w] [-xvg<enum>]
