| GMX-ANADOCK(1) | GROMACS | GMX-ANADOCK(1) |
gmx-anadock - Cluster structures from Autodock runs
gmx anadock [-f [<.pdb>]] [-od [<.xvg>]] [-of [<.xvg>]] [-g [<.log>]]
[-xvg <enum>] [-[no]free] [-[no]rms] [-cutoff <real>]
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 to specify input files:
Options to specify output files:
Other options:
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2019, GROMACS development team
| February 15, 2019 | 2019.1 |