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van der Waals parameters for the original and refined polarizable DMPC models
| Original |
Refined |
|||
|---|---|---|---|---|
|
ɛ |
Rmin |
ɛ |
Rmin |
|
| (kcal/mol) | (Å) | (kcal/mol) | (Å) | |
| PL | −0.5500 | 2.50 | −0.5000 | 2.15 |
| O2L | −0.2500 | 2.00 | −0.0650 | 1.80 |
| OSL | −0.0500 | 2.25 | −0.0500 | 1.80 |
| HT/O2L (NBFIX) | n/a | n/a | −0.2975 | 2.75 |
| HT/OSL (NBFIX) | n/a | n/a | −0.3000 | 2.60 |
