After discovering instability in the LD simulation within this publication due to a high Z-to-X dimension ratio, we substitute the ABI, ALD, and ALD/ABI values for the C36s column in Table 1 with our previously published data, which were calculated from a more extensive and stable simulation.9
Table 1. Calculated and Experimentally Measured Properties of TG, Bilayer, and LD (Corrected Properties in Bold).
AA |
CG |
|||||||
---|---|---|---|---|---|---|---|---|
Exp | C36-s | C36-LJPME-r | C36-c | MARTINI-s | MARTINI-a | SDK-s | SDK-V | |
VTG [nm3] | 1.64a | 1.67 | 1.64 | 1.67 | 1.60 | 1.89 | 1.63 | 1.63 |
γTG/W [mN/m] | 32.0b | 25.3 | 34.0 | 31.5 | 31.1 | 37.6 | 17.6 | 32.9 |
ABI [Å2] | 67.4c | 62.8e | 65.7 | 65.0 | 65.3 | 65.3 | 66.2 | 66.2 |
ALD [Å2] | 78d | 69.4e | 67.9 | 67.3 | 66.3 | 66.0 | 68.4 | 67.3 |
ALD/ABI | 15%d | 10.5%e | 3.3% | 3.5% | 1.5% | 1.1% | 3.3% | 1.7% |
Reference 29.
Reference 19.
Reference 43.
Reference 27.
Reference 9.