Article ID: 1565 - Last Modified: August 5, 2011
Can I use Jaguar to calculate partial charges?
Yes, you can calculate Mulliken charges, Stockholder charges, and charges derived from the electrostatic potential. Select the appropriate options in the Properties tab when you set up the calculation in the Jaguar panel. The charges are returned as atom properties, which you can use in other applications.
Keywords: Maestro
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