Table 1. Atomistic Target System Detailsa.
system | lipids | no. of TIP3P | no. of NA | no. of CL | T/K | simul time/ns |
---|---|---|---|---|---|---|
DPSM128 328 K | 128 SSM | 5120 | 328.15 | 150 | ||
POPC SSM CHOL | 100 POPC 100 SSM 100 CHL1 | 9000 | 18 | 18 | 321.15 | 300 |
In the naming scheme of the CHARMM FF, SSM and CHL1 denote sphingomyelin (18:0) and cholesterol, respectively.