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NAME
       gmx-awh - Extract data from an accelerated weight histogram (AWH) run


SYNOPSIS
          gmx awh [-f [<.edr>]] [-s [<.tpr>]] [-o [<.xvg>]] [-fric [<.xvg>]]
                  [-b <time>] [-e <time>] [-[no]w] [-xvg <enum>] [-skip <int>]
                  [-[no]more] [-[no]kt]


DESCRIPTION
       gmx  awh extracts AWH data from an energy file.  One or two files are written per AWH bias
       per time frame.  The bias index, if more than one, is appended to the file, as well as the
       time  of  the  frame. By default only the PMF is printed.  With -more the bias, target and
       coordinate distributions are also printed.  With -more the  bias,  target  and  coordinate
       distributions   are  also  printed,  as  well  as  the  metric  sqrt(det(friction_tensor))
       normalized such that the average is 1.  Option -fric prints all components of the friction
       tensor to an additional set of files.


OPTIONS
       Options to specify input files:

       -f [<.edr>] (ener.edr)
              Energy file

       -s [<.tpr>] (topol.tpr)
              Portable xdr run input file

       Options to specify output files:

       -o [<.xvg>] (awh.xvg)
              xvgr/xmgr file

       -fric [<.xvg>] (friction.xvg) (Optional)
              xvgr/xmgr file

       Other options:

       -b <time> (0)
              Time of first frame to read from trajectory (default unit ps)

       -e <time> (0)
              Time of last frame to read from trajectory (default unit ps)

       -[no]w (no)
              View output .xvg, .xpm, .eps and .pdb files

       -xvg <enum> (xmgrace)
              xvg plot formatting: xmgrace, xmgr, none

       -skip <int> (0)
              Skip number of frames between data points

       -[no]more (no)
              Print more output

       -[no]kt (no)
              Print free energy output in units of kT instead of kJ/mol


SEE ALSO
       gmx(1)

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


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       2024, GROMACS development team