How do I make Embrace faster ?

To make Embrace calculations faster, you can use the substructure facility, and you should try to make the substructure be as small as reasonable. It is very important that the instructions in the MacroModel User Manual sections "Specifying a Substructure for Embrace" and "Using a Ligand To Assist in Creating a Receptor Substructure" are followed closely when constructing the substructure for Embrace.

Keywords: Embrace

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