GMX-RAMA(1) | GROMACS | GMX-RAMA(1) |
NAME¶
gmx-rama - Compute Ramachandran plotsSYNOPSIS¶
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> (xmgrace)
- xvg plot formatting: xmgrace, xmgr, none
SEE ALSO¶
gmx(1)More information about GROMACS is available at <http://www.gromacs.org/>.
COPYRIGHT¶
2016, GROMACS development teamOctober 28, 2016 | 2016.1 |