Yuanhang2024
Yuanhang2024
The examples from the protein-ligand-docking folder can run normally.
Thank you so much for answering, but I have 5000 samples to deal with, so I can't rely on the server. How can I generate the .top and .param files...
I've used acpype to generate .top and .par files in CNS standards, but the same error repeated. When I force the topoaa step tolerance = 99, no models to dock...
Error message be like this: File "/public/home/acosdmq0yn/haddock3/src/haddock/modules/sampling/rigidbody/__init__.py", line 79, in _run sampling_factor = int(self.params["sampling"] / len(models_to_dock)) ZeroDivisionError: division by zero [2024-05-11 01:18:59,632 libutil ERROR] division by zero
Config file names have been corrected, and ligand chain ID have been defined and used in the .tbl file.
 Screenshot of the ligand
[PeptideDocking3239.zip](https://github.com/haddocking/haddock3/files/15280997/PeptideDocking3239.zip) The running dir is here.