2.1.15 The Setup Dialog

In previous versions of ghemical, there were separate projects for molecular mechanical models, quantum mechanical models, and simplified force field protein models. These have now been unified into a single project type and the model used to perform calculations can be chosen using the Setup Dialog. To open the Dialog, right click on the view menu and select Compute->Setup from the pop-up menu. To select a one of the setups (QM, MM, etc), select one of the notebook pages on the Dialog.

Image 1 of the Setup Dialog.

The available setups options are:



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