Dear Admin,
I have recently recognized that MTiOpenScreen fails to compile the entire set of ligands in the output file it generates. It used to yield about 1500 ligands after docking. Now it only yields a few hundred, leaving out many ligands. I rerun a previous job to confirm this, and the resulting output files are very different in size, with the more recent one containing only a small subset of the previous one.
Best wishes,
Assoc. Prof. Kerem Teralı
Session information:
- id: 406491ca6aea062df7e32c9b3f497f3b
- email: keremterali@gau.edu.tr
- activated?: True
- authenticated?: True
Job information:
- id: RPBS Web Portal
- date: Sat, 17 Jun 2023 10:51:44 +0000
- status: submitted
- user error in parameter: None
- user error message: None