Knowledge Base

Article ID: 1248 - Last Modified: April 7, 2011

How do I use LigPrep to prepare structures for QikProp?

From Suite 2008, QikProp no longer requires neutralized structures, so you do not need to do anything special to prepare the structures. If you are running QikProp from a version prior to Suite 2008, you should add the -qik option to the ligprep command to ensure that the structures are neutralized.

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