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

       2025, GROMACS development team

2025.0                                            Feb 10, 2025                                        GMX-AWH(1)

gmxawh 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,  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.

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

       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

gmx(1)

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

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