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gmx-eneconv(1)                  GROMACS Manual                  gmx-eneconv(1)

NAME
       gmx-eneconv - Convert energy files

SYNOPSIS
       gmx eneconv [-f [<.edr> [...]]] [-o [<.edr>]] [-nice <int>]
                   [-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 double time frames, the
       one in the later file is used. By specifying -settime 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 necessary (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 and output files:

       -f [<.edr> [...]] (ener.edr) (Input)
           Energy file

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

       Other options:

       -nice <int> (19)
           Set the nicelevel

       -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
       - When combining trajectories the sigma and E2 (necessary for
       statistics) are not updated correctly. Only the actual energy is
       correct. One thus has to compute statistics in another way.

SEE ALSO
       gromacs(7)

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

VERSION 5.0.6                                                   gmx-eneconv(1)