Hi All,
My systems contain a polymer and water (polymer-water interface is modeled). I calculated the density graphs for water (sol, line in blue) and the polymer (pol, in orange) as shown in the attached figure. I have two questions.
- By integrating the highlighted area, does the value represent the mass of bulk water (at the interface)?
- Since density graphs x and y axis are nm and kgm-3 (from gmx density), what would be the units for the value (A =3531.15) I get in the graph?
