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 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> [...]] (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

       2020, GROMACS development team