Vinardo Scoring Function (original) (raw)
Hi,
I am getting this error:
ERROR: Cannot do the global search. Affinity maps were not initialized.
I am trying to run a batch job with the command
vina --receptor rigid.pdbqt --flex flex.pdbqt --scoring vinardo --batch ligands/*.pdbqt --config config.txt --exhaustiveness 64 --dir results
The same error occurs when I change "--receptor rigid.pdbqt" to "--maps rigid"
The first command works perfectly fine without the "--scoring vinardo".
Thank you in advance for the help