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Article ID: 611 - Last Modified:

When I try submitting a job the following error appears:

Error: -NJOBS option only available with simplified docking jobs

What does this mean?

Beginning with Glide 5.0 (Suite 2008), we introduced a new ("simplified") input file format for Glide jobs. Maestro writes out these keyword-value parameter files by default now, and by convention they have the extension .in rather than .inp. We also introduced a new driver program, $SCHRODINGER/glide, for running both serial and distributed jobs from these new input files. $SCHRODINGER/glide actually can run serial jobs using the older .inp input files, too, but distributed jobs with .inp files must be run with the old distributed driver, $SCHRODINGER/para_glide.

The new driver supports automatic subjob retrying and overall restartability, so we suggest that you use the newer input file format whenever possible. There isn't an automatic way to convert .inp (DICE) files to .in (Glide) files, so you would have to generate new input files from Maestro.

In case you want to construct or modify a Glide input file yourself, the keywords are documented in the Glide User Manual.

Keywords: error, NJOBS, simplified docking jobs, subjob retry, modify input file

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