Table 1. Overview of the System Size in Terms
of Number of QM Atoms (NQM), Number of
MM Atoms (NMM), and the Total Number of
QM Basis Functions 
.
| system | NQM | NMM |
|
|
|---|---|---|---|---|
| OCP | 129 | 4915 | 1038 | |
| APPA | 31 | 16,449 | 309 | |
| DMABN | 21 | 6843 | 185 | |
| 3HF | 28 | 15,018 | 290 |
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