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Article ID: 317 - Last Modified:

Is there a way to control inclusion/exclusion of frozen MM interactions in the QSite energy?

You can exclude the frozen atom interaction energies by adding the following to the gen section of the jobname.in file.

qsallerg=0

You can add this via the "QM options" field on the "QM Settings" tab in Maestro, or by editing the jobname.in file directly. By default, all interactions are included in the energy.

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