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NAME

       eneconv - converts energy files

       VERSION 4.0.1

SYNOPSIS

       eneconv  -f  ener.edr -o fixed.edr -[no]h -nice int -b real -e real -dt
       real -offset real -[no]settime -[no]sort -scalefac real -[no]error

DESCRIPTION

       With  multiple files specified for the  -f option:

       Concatenates several energy files in sorted order.  In 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   eneconv -o
       fixed.edr *.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.

FILES

       -f ener.edr Input, Mult.
        Energy file: edr ene

       -o fixed.edr Output
        Energy file: edr ene

OTHER OPTIONS

       -[no]hno
        Print help info and quit

       -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]settimeno
        Change starting time interactively

       -[no]sortyes
        Sort energy files (not frames)

       -scalefac real 1
        Multiply energy component by this factor

       -[no]erroryes
        Stop on errors in the file

KNOWN PROBLEMS

       -   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/>.

                                Thu 16 Oct 2008                     eneconv(1)