... Orca manual for details. Limitations A cutoff is applied to QM/MM interactions in QM/MM simulations with and without PBCs. This leads to discontinuities in the potential energy surface and poor energy conservation. In the case of QM/MM ...
... Orca manual for details. Limitations A cutoff is applied to QM/MM interactions in QM/MM simulations with and without PBCs. This leads to discontinuities in the potential energy surface and poor energy conservation. In the case of QM/MM ...
... Orca manual for details. Limitations A cutoff is applied to QM/MM interactions in QM/MM simulations with and without PBCs. This leads to discontinuities in the potential energy surface and poor energy conservation. In the case of QM/MM ...
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