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GMX-ENECONV(1)			    GROMACS			GMX-ENECONV(1)

NAME
       gmx-eneconv - Convert energy files

SYNOPSIS
	  gmx eneconv [-f [_.edr_ [...]]] [-o [_.edr_]]	[-b _real_] [-e	_real_]
		      [-dt _real_] [-offset _real_] [-[no]settime] [-[no]sort]
		      [-[no]rmdh] [-scalefac _real_] [-[no]error]

DESCRIPTION
       With multiple files specified for the -f	option:

       Concatenates several energy files in sorted order.  In the case of dou-
       ble time	frames,	the one	in the later file is used. By specifying -set-
       time you	will be	asked for the start time of each file. The input files
       are taken from the command line,	such that the command gmx  eneconv  -f
       *.edr -o	fixed.edr should do the	trick.

       With one	file specified for -f:

       Reads  one  energy  file	and writes another, applying the -dt, -offset,
       -t0 and -settime	options	and converting to a different format if	neces-
       sary (indicated by file extentions).

       -settime	 is  applied  first, then -dt/-offset followed by -b and -e to
       select which frames to write.

OPTIONS
       Options to specify input	files:

       -f [<.edr> [^a|]]	(ener.edr)
	      Energy file

       Options to specify output files:

       -o [<.edr>] (fixed.edr)
	      Energy file

       Other options:

       -b <real> (-1)
	      First time to use

       -e <real> (-1)
	      Last time	to use

       -dt <real> (0)
	      Only write out frame when	t MOD dt = offset

       -offset <real> (0)
	      Time offset for -dt option

       -[no]settime (no)
	      Change starting time interactively

       -[no]sort (yes)
	      Sort energy files	(not frames)

       -[no]rmdh (no)
	      Remove free energy block data

       -scalefac <real>	(1)
	      Multiply energy component	by this	factor

       -[no]error (yes)
	      Stop on errors in	the file

KNOWN ISSUES
       o When combining	trajectories the sigma and E^2 (necessary for  statis-
	 tics)	are  not updated correctly. Only the actual energy is correct.
	 One thus has to compute statistics in another way.

SEE ALSO
       gmx(1)

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

COPYRIGHT
       2020, GROMACS development team

2020.4				 Oct 06, 2020			GMX-ENECONV(1)
NAME | SYNOPSIS | DESCRIPTION | OPTIONS | KNOWN ISSUES | SEE ALSO | COPYRIGHT

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