Running docking 3.7
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To set up directories for docking using DOCK 3.7, use:
setup_db2_lots.py <num_dirs> <prefix> /path/to/db2/files
Then to start the docking using the queuing system
submit_dock
If you haven't set up SGE or other queuing system, you can still run docking on your local machine.
local_dock
If you have more free CPUs than jobs to run, you can use:
local_dock_atonce
However, if you have more jobs to run than CPUs, you may find this overloads and crashes your computer. Return to DOCK 3.7