table of contents
other versions
- jessie 5.0.2-1
gmx-rama(1) | GROMACS Manual | gmx-rama(1) |
NAME¶
gmx-rama - Compute Ramachandran plotsSYNOPSIS¶
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 5.0.2 |