Welcome to Yoink
Adaptive QM/MM Methods repartition molecules into the QM and MM regions on the fly based on a partitioning criterion. A density based partitioning scheme offers a unique way of basing the QM and MM assignments on the presence/absence of (non-) covalent interactions. Yoink can also perform the alternative distance or number based partitionings.
Check out our example inputs and outputsInputs.tar.gz Outputs.tar.gz
Check out our documentation
Authors and Contributors
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