Hi All,
I am simulating a water-polymer interface using GROMACS. I want to calculate the size of (e.g., pore distribution) pores in water channels. Since my system contains both the interface and water channel regions, is there any code or software available to calculate the pore sizes, avoiding the system's bulk water phase/interface? Can anyone help me with this by sharing your thoughts or experiences with similar situations (I noticed that many available software uses the whole system for the pore size calculation and cannot be confined into a sub-region of the system)?
I really appreciate any help you can provide.