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I have been trying to run Unidock for 10 ligands at once. Where receptor and ligand is in pdbqt format and conf file is also made.
here i am putting the CLI and error facing, kept run on gpu.
here is conf.txt
GPU
Kindly resolve it asap.
The text was updated successfully, but these errors were encountered:
Hi @shimikiyoko ,
Thank you for trying Uni-Dock. The gpu_batch parameter should contain the paths to the ligands. Please see readme for an example.
Selecting a path with ligands only is indeed a more friendly way. We'll add this feature soon.
I have been trying to run Unidock for 10 ligands at once. Where receptor and ligand is in pdbqt format and conf file is also made.
here i am putting the CLI and error facing, kept run on gpu.
here is conf.txt
GPU
Kindly resolve it asap.
The text was updated successfully, but these errors were encountered: