Article ID: 383 - Last Modified: August 16, 2012
I downloaded the Maestro program through the Maestro Academic campaign and installed it on my computer. But I cannot do any energy minimization for the molecules I have drawn. What can I do?
Only the Maestro GUI is free of charge when Maestro is distributed via the Academic Campaign. It does not come with any additional applications, such as Jaguar, Glide, or MacroModel. If you are interested in getting an evaluation license for any of our products, please visit the Sales Center at http://www.schrodinger.com/salescenter. You can find this page by going to Resources & Downloads → Request Quote/Evaluation.
From Suite 2010, Maestro has a simple minimization tool which you can run with Tools → Minimize (or CTRL+M). This tool minimizes the energy of the selected atoms with the OPLS_2005 force field. There is a similar tool at Edit → Clean Up Geometry, which minimizes the Workspace. This tool can be used for any atom type (including metals) for small molecules (less than 200 atoms) by setting the Build → Geometry Cleanup preference to use the Universal Force Field (UFF) minimizer.
Keywords: Academic, energy minimization, Maestro, cleanup
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