Table 1.
Simulation conditions
Systema | Gate modeled? | Lipids | [Na+] (mM) | Restraints | Temperature (K) | Time step (fs) |
---|---|---|---|---|---|---|
NR | yes | mix | 150 | no | 303 | 2 |
NR_1fs | yes | mix | 150 | no | 303 | 1 |
NR_POPC | yes | POPC | 150 | no | 303 | 1 |
NR_310K | yes | mix | 150 | no | 310.15 | 1 |
NR_V219D | yes | mix | 150 | no | 303 | 2 |
GR | no | mix | 150 | gate | 310.15 | 2 |
GR_POPC | no | POPC | 150 | gate | 310.15 | 2 |
GR_120mM | no | mix | 120 | gate | 310.15 | 2 |
GR_V219D | no | mix | 150 | gate | 310.15 | 2 |
NR stands for no restraints; GR stands for gate restraints.