Segmentation Fault - Core Dumped

[shimikiyoko]

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.

[caic99]

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.

[shimikiyoko]

Yes, the path given above is to the ligands directory.

[caic99]

Yes, the path given above is to the ligands directory.

@shimikiyoko

--gpu_batch: filepath of the ligands to dock with GPU (PDBQT), enter multiple at a time, separated by spaces (" ")

Please see the examples from readme.

You can consider using ligand_index param. Please see faq #2