gmx-eneconv - Convert energy files

       2025, GROMACS development team

2025.0                                            Feb 10, 2025                                    GMX-ENECONV(1)

       With multiplefiles 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 gmxeneconv-f*.edr-ofixed.edr should do
       the trick.

       With onefile 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.

       • 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.

       gmx-eneconv - Convert energy files

       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

gmx(1)

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

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