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GMX-TRAJECTORY(1)		    GROMACS		     GMX-TRAJECTORY(1)

NAME
       gmx-trajectory  -  Print	coordinates, velocities, and/or	forces for se-
       lections

SYNOPSIS
	  gmx trajectory [-f [_.xtc/.trr/..._]]	[-s [_.tpr/.gro/..._]]
		       [-n [_.ndx_]] [-ox [_.xvg_]] [-ov [_.xvg_]]
		       [-of [_.xvg_]] [-b _time_] [-e _time_] [-dt _time_]
		       [-tu _enum_] [-fgroup _selection_] [-xvg	_enum_]
		       [-[no]rmpbc] [-[no]pbc] [-sf _file_] [-selrpos _enum_]
		       [-seltype _enum_] [-select _selection_] [-[no]x]
		       [-[no]y]	[-[no]z] [-[no]len]

DESCRIPTION
       gmx trajectory plots coordinates, velocities, and/or  forces  for  pro-
       vided  selections.  By  default,	the X, Y, and Z	components for the re-
       quested vectors are plotted, but	specifying one or more	of  -len,  -x,
       -y, and -z overrides this.

       For  dynamic  selections,  currently the	values are written out for all
       positions that the selection could select.

OPTIONS
       Options to specify input	files:

       -f [<.xtc/.trr/^a|>] (traj.xtc) (Optional)
	      Input trajectory or single configuration:	xtc trr	 cpt  gro  g96
	      pdb tng

       -s [<.tpr/.gro/^a|>] (topol.tpr) (Optional)
	      Input structure: tpr gro g96 pdb brk ent

       -n [<.ndx>] (index.ndx) (Optional)
	      Extra index groups

       Options to specify output files:

       -ox [<.xvg>] (coord.xvg)	(Optional)
	      Coordinates for each position as a function of time

       -ov [<.xvg>] (veloc.xvg)	(Optional)
	      Velocities for each position as a	function of time

       -of [<.xvg>] (force.xvg)	(Optional)
	      Forces for each position as a function of	time

       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 if	t MOD dt == first time (ps)

       -tu <enum> (ps)
	      Unit for time values: fs,	ps, ns,	us, ms,	s

       -fgroup <selection>
	      Atoms  stored in the trajectory file (if not set,	assume first N
	      atoms)

       -xvg <enum> (xmgrace)
	      Plot formatting: none, xmgrace, xmgr

       -[no]rmpbc (yes)
	      Make molecules whole for each frame

       -[no]pbc	(yes)
	      Use periodic boundary conditions for distance calculation

       -sf <file>
	      Provide selections from files

       -selrpos	<enum> (atom)
	      Selection	reference positions: atom, res_com, res_cog,  mol_com,
	      mol_cog,	   whole_res_com,     whole_res_cog,	whole_mol_com,
	      whole_mol_cog,   part_res_com,	part_res_cog,	 part_mol_com,
	      part_mol_cog, dyn_res_com, dyn_res_cog, dyn_mol_com, dyn_mol_cog

       -seltype	<enum> (atom)
	      Default  selection  output  positions:  atom,  res_com, res_cog,
	      mol_com, mol_cog,	whole_res_com,	whole_res_cog,	whole_mol_com,
	      whole_mol_cog,	part_res_com,	 part_res_cog,	 part_mol_com,
	      part_mol_cog, dyn_res_com, dyn_res_cog, dyn_mol_com, dyn_mol_cog

       -select <selection>
	      Selections to analyze

       -[no]x (yes)
	      Plot X component

       -[no]y (yes)
	      Plot Y component

       -[no]z (yes)
	      Plot Z component

       -[no]len	(no)
	      Plot vector length

SEE ALSO
       gmx(1)

       More    information    about    GROMACS	  is	available    at	    <-
       http://www.gromacs.org/>.

COPYRIGHT
       2020, GROMACS development team

2020.3				 Jul 09, 2020		     GMX-TRAJECTORY(1)

NAME | SYNOPSIS | DESCRIPTION | OPTIONS | SEE ALSO | COPYRIGHT

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