Jaguar Output

The output from a Jaguar run always includes a Jaguar output file, which contains the primary output; a log file, which contains a job summary that is updated as the job is being run; and a Maestro-formatted file, which contains the geometry and properties in a form that can be read by Maestro and other Schrödinger software. If you request other output options in the Output tab of the Jaguar panel, various other files can also be generated as output.

You can view the output file from Maestro either from the Monitor panel, or the Project Table panel. In the Monitor panel, choose the file in the Details tab, and click on it to display it in the File tab. In the Project Table, there is an entry property that stores a link to the file. Click the link and choose View to open the file in a read-only text viewer (the View File panel), where you can browse the file, search for text, and copy text to the clipboard.

This chapter begins with a description of the jaguar results utility, which can be used to obtain summaries of Jaguar results. The chapter continues with a description of the Jaguar output file for a standard Hartree-Fock calculation, followed by a discussion of the changes in the output for various other calculation options and the output options that can be set in the Output tab. The final section explains the log file, which is the file displayed in the Monitor panel as a job runs.

In this chapter, footnotes indicate the Jaguar input file keywords and sections that correspond to particular Maestro settings. If you are working from Maestro, you can ignore these footnotes, but you may find them helpful if you want to use input files to run jobs outside Maestro.