search

ccsb-scripps / AutoDock-GPU

AutoDock for GPUs and other accelerators
https://ccsb.scripps.edu/autodock
GNU General Public License v2.0
366 stars 101 forks source link

Unable to use batch Docking #227

Open Anupam-5 opened 1 year ago

Anupam-5 commented 1 year ago

I want to use batch docking with autodock-gpu but I am unable to use it, can anyone help or provide some tutorial for batch docking.

I have used single ligand docking, now want to use multiple ligand but don't know how to.

please help.

diogomart commented 1 year ago

There's an example for the contents of the filelist in the README file.