Provided by: gromacs-data_2018.1-1_all bug


       gmx-eneconv - Convert energy files


          gmx eneconv [-f [<.edr> [...]]] [-o [<.edr>]] [-b <real>] [-e <real>]
                      [-dt <real>] [-offset <real>] [-[no]settime] [-[no]sort]
                      [-[no]rmdh] [-scalefac <real>] [-[no]error]


       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 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


       · 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.



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       2018, GROMACS development team