Provided by: gromacs-data_2018.1-1_all 
NAME
gmx-anadock - Cluster structures from Autodock runs
SYNOPSIS
gmx anadock [-f [<.pdb>]] [-od [<.xvg>]] [-of [<.xvg>]] [-g [<.log>]]
[-xvg <enum>] [-[no]free] [-[no]rms] [-cutoff <real>]
DESCRIPTION
gmx anadock analyses the results of an Autodock run and clusters the structures together, based on
distance or RMSD. The docked energy and free energy estimates are analysed, and for each cluster the
energy statistics are printed.
An alternative approach to this is to cluster the structures first using gmx cluster and then sort the
clusters on either lowest energy or average energy.
OPTIONS
Options to specify input files:
-f [<.pdb>] (eiwit.pdb)
Protein data bank file
Options to specify output files:
-od [<.xvg>] (edocked.xvg)
xvgr/xmgr file
-of [<.xvg>] (efree.xvg)
xvgr/xmgr file
-g [<.log>] (anadock.log)
Log file
Other options:
-xvg <enum> (xmgrace)
xvg plot formatting: xmgrace, xmgr, none
-[no]free (no)
Use Free energy estimate from autodock for sorting the classes
-[no]rms (yes)
Cluster on RMS or distance
-cutoff <real> (0.2)
Maximum RMSD/distance for belonging to the same cluster
SEE ALSO
gmx(1) More information about GROMACS is available at <http://www.gromacs.org/>.
COPYRIGHT
2018, GROMACS development team