The hydrated protein-lipid system was solvated in a water bath including chloride and sodium ions at physiological concentration. |
Solute molecules were solvated using a box of TIP3P water molecules with periodic boundary conditions. |
In addition, in protic hydrogen-bonding solvents such as water and alcohols, sulfur is more weakly solvated than lighter heteroatoms. |
In the first system, the phospholipid molecules were solvated by 6560 SPC water molecules. |
The solvated systems were then equilibrated with standard protocols. |
In each simulation, the initial ion was solvated in a system of 216 waters. |