Table 1 Summary of the cluster analysis for the simulations between 50 ns and 100 ns.
From: The effect of high pressure on the NMDA receptor: molecular dynamics simulations
Gas type | Pressure (bar) | Simulation time (ns) | Total number of frames | No. of clusters | Probability of the biggest cluster | Frames in the biggest cluster | Probability of the other clusters (# of the cluster) | First frame in the biggest cluster (ps) | Middle frame in the biggest cluster (ps) | Last frame in the biggest cluster (ps) |
|---|---|---|---|---|---|---|---|---|---|---|
No gas | 1 | 101 | 14251 | 11 | 0.83 | 11872 | 0.09 (2) | 50232 | 71092 | 107000 |
No gas | 25 | 101 | 12751 | 31 | 0.3 | 3812 | 0.18 (2) 0.13 (3) 4-0.08 (4) | 62652 | 84848 | 99776 |
He | 25 | 104 | 13501 | 30 | 0.21 | 2812 | 0.15 (2) 0.12 (3) 0.10 (4) 0.10 (5) | 70988 | 79612 | 96168 |
