gmx rama#
Synopsis#
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)-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)-xvg
<enum> (xmgrace)xvg plot formatting: xmgrace, xmgr, none