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                                            AndreaCarotti

Same ligands, same protein PDBQTs - Only fast mode is working

Hi, thanks.. The RTXA4000 has 16GB of memory. When unidock runs, it fills up all the available memory, despite the max_gpu_memory I specify. However, if I specify max_gpu_memory 12000, it...

Same ligands, same protein PDBQTs - Only fast mode is working

Did you play setting the max_gpu_memory to lower values e.g. 20000 or less..Do some tests lowering until you get the docking poses...it worked for me. On my RTXA4000 (16GB) I...