GuzelMinibaeva

Dear Navya, could you please show the full path of the command line you used to run vina_dock.py ?

Hi, please run command: python vina_dock.py -i smiles.smi --no_protonation -o output.db You may need to check the existing database, remove it before starting.

Hi Navya, for the first run you should use -p with a path for your pdbqt file and -s with a path for your setup file with grid box coordinates,...