Table 1. Summary of MD simulations.
Run no. | System size (atoms) | Duration of simulation | No. of POPC molecule | No. of water bead | No. of CHL | |
---|---|---|---|---|---|---|
With CHL | 1 | 277314 | 1μs | 489 | 82290 | 2 |
With CHL | 2 | 277314 | 1μs | 489 | 82290 | 2 |
With CHL | 3 | 277314 | 1μs | 489 | 82290 | 2 |
Without CHL | 1 | 330636 | 1μs | 490 | 100066 | 0 |
Without CHL | 2 | 330636 | 1μs | 490 | 100066 | 0 |
Without CHL | 3 | 330636 | 1μs | 490 | 100066 | 0 |
Details of simulations performed with and without cholesterol (CHL) systems.