Running docking 3.7
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
If you have more free CPUs than jobs to run, you can use:
However, if you have more jobs to run than CPUs, you may find this overloads and crashes your computer.
When docking is complete, you can combine the results and sort them using
Return to DOCK 3.7