Synopsis
gmx rama [-f [<.xtc/.trr/...>]] [-s [<.tpr/.tpb/...>]] [-o [<.xvg>]]
[-nice ] [-b ] [-e ] [-dt ] [-[no]w]
[-xvg ]
Description
gmx rama selects the φ/ψ 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
Set the nicelevel
-b
First frame (ps) to read from trajectory
-e
Last frame (ps) to read from trajectory
-dt
Only use frame when t MOD dt = first time (ps)
-[no]w
View output .xvg , .xpm , .eps and .pdb files
-xvg
xvg plot formatting: xmgrace, xmgr, none
