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Article ID: 279 - Last Modified:

I have a large LigPrep job distributed over several CPUs and subjobs, which seems to hang. How can I get the results for the prepared ligands that have been processed so far?

In Maestro, open the Monitor jobs panel via Applications → Monitor Jobs. If the job is not displayed, choose Show Jobs: Active Jobs only. If you see the LigPrep jobs, select only the subjobs and kill them. Now the main LigPrep job will collect the results and end itself as well. In the log file of the main job you will see the name of the file that contains the results.

Keywords: ligprep para_ligprep hang database subjob ligand preparation, Maestro

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