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. 2023 Jun 7;19(12):3705–3720. doi: 10.1021/acs.jctc.3c00140

Table 3. Overview of All MD Sampling Performed on LEUT.

Type of run Simulation time (ns)
Unbiased MD 1000 × 2
SMD 600 × 6
1D US MEMENTO (156 + 155 + 157) × 24
2D US MEMENTO (495 + 514 + 517) × 24
2D US MEMENTO extra 510 × 24 + (523 + 499) × 16
2D US SMD (507 + 511) × 24
2D US SMD extra 500 × 24
Total 118 μs