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 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 extensions).

       -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> [...]] (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

       • When  combining  trajectories  the  sigma and E^2 (necessary for statistics) 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

       2021, GROMACS development team