Running Jaguar From Maestro

The Jaguar panel in Maestro is the primary means for the preparation and submission of jobs. Try the sample calculation given in Sample Jaguar Calculation to get some experience running Jaguar and to make sure your system is set up properly.

The topics listed below describe the basics of running Jaguar from Maestro: an overview of the Jaguar panel and its facility for editing Jaguar input files; reading input files, running jobs, running batch jobs, and output. Details of the wide range of settings you can make for energy, property, optimization, scan, and transition state search jobs are given in other sets of topics (Jaguar Capabilities, Jaguar Optimizations and Scans, Jaguar Workflows, The Jaguar pKa Prediction Module).

The footnotes describe Jaguar input file keywords and sections that correspond to particular GUI settings. If you are working entirely from Maestro, you can ignore these footnotes, but you may later find them helpful if you decide to use input files to submit jobs without using Maestro, or if you want to edit keywords directly using the Edit Job dialog box.