Zhixian Huang
Zhixian Huang
I found it might be the random positions of added H with pdbfixer I used. Have you ever found this issue? or how can I get solid added Hs‘ positions?
I met the same issue with the latest docker container. And I rolled back to v2.12.2 which could work well.
meet the same issue with 4090(24G)
> 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...
> Hi @tom832 Thank you for your feedback. Can you try such an instruction ` unidock --receptor ./receptor.pdbqt --ligand_index ./index.txt --center_x -26.346 --center_y -25.7025 --center_z 31.2255 --size_x 30 --size_y 30...