I am running HADDOCK 3.0 locally for protein-protein docking.
I am running into an error and am wondering if you could point to me what this means.
In my log file, it seems like CNS ran okay, but something is wrong in the rigid body process:
[2023-05-25 16:33:11,794 init INFO] [topoaa] Running CNS Jobs n=2
[2023-05-25 16:33:11,795 libmpi INFO] Executing tasks with the haddock3-mpitask runner using 48 processors…
[2023-05-25 16:33:27,068 init INFO] [topoaa] CNS jobs have finished
[2023-05-25 16:33:27,072 base_cns_module INFO] Module [topoaa] finished.
[2023-05-25 16:33:27,072 init INFO] [topoaa] took 15 seconds
[2023-05-25 16:33:28,229 base_cns_module INFO] Running [rigidbody] module
[2023-05-25 16:33:28,231 init INFO] [rigidbody] crossdock=true
[2023-05-25 16:33:28,231 init INFO] [rigidbody] Preparing jobs…
[2023-05-25 16:33:28,320 init INFO] [rigidbody] Running CNS Jobs n=10
[2023-05-25 16:33:28,321 libmpi INFO] Executing tasks with the haddock3-mpitask runner using 48 processors…
[2023-05-25 16:33:30,706 init INFO] [rigidbody] CNS jobs have finished
[2023-05-25 16:33:30,709 libutil ERROR] 100.00% of output was not generated for this module and tolerance was set to 0.00%.
I checked the output file in rigidbody_1.out, and I saw this error:
%NEXTCD-ERR: Symbol not found:
73357.00623104 14542.39868540 -48724.59853486
Could you let me know what could be wrong?