Table 1.
Summary of systems and simulation runs
| Bilayer construction | ||||
|---|---|---|---|---|
| Bilayer | PIP2% | CHL% | DOPE% | DOPS% |
| 1 | 20 | 0 | 55 | 25 |
| 2 | 30 | 20 | 30 | 20 |
| 3 | 20 | 20 | 40 | 20 |
| 4 | 10 | 20 | 50 | 20 |
| MD simulation run GROMACS-CHARMM36 force field | ||||
| Run length | Ns per day | ff of atoms | # water molecules | #CPUS |
| 150 ns | 10 ns | 65 699 | 3845 | 16–32 |