MM Charges

The MM Charges dialog is used to assign charges to atoms for use with Molecular Mechanics methods (typically, as part of the low accuracy layer in an ONIOM job).


The MM Charges Dialog

The Target field specifies atoms the action applies to. The drop down will allow you to choose All Atoms, Selected Atoms, or Atoms with empty MM Charge.

The Action field assigns charges to the targeted atoms. Using this field, you can choose Assign AMBER94 Charges, Assign Muliken Charges, Assign APT Charges, Assign ESP Charges, Assign NBO Charges, or Assign AIM Charges. Only charge types that are available will be active. The Clear selection will remove any assigned MM charges from the targeted atoms.