Table 3. A summary of the molecular structures used for the simulations.
Material | Nmat (mol) | Nwat (mol) | L (Å) | Material | Nmat (mol) | Nwat (mol) | L (Å) |
---|---|---|---|---|---|---|---|
Water | 240 | 20.8 | Ala 1 M | 4 | 208 | 19.09 | |
Methanol | 180 | 18.5 | Glu 1 M | 4 | 200 | 18.81 | |
Ethanol | 180 | 23.3 | GABA 1 M | 4 | 222 | 21.28 | |
Gly 1 M | 4 | 212 | 19.98 | Dopamine 1 M | 4 | 195 | 18.71 |