Hi All,

This is my first post here. I have seen many posts/scripts here on creating systems with solvent/solute and of course Amorphous cell has the packing option that can be used for the same purpose. I have created such a system and run multiple NPT dynamics with it. My question is: Is there a way to remove the solvent molecules from the simulation cell either directly via highlighting and deleting them on the visualizer or using a script. In my system, the polymer chains and solvents both are made up of Carbon chains with hydrogen atom and other groups attached to them, but both have different repeat units. This removal therefore has to utilize something based on molecule identity not atom types alone. Please let me know how I can proceed further...

Thanks,

Manish