Dear colleagues,
I'm beginner in C++ programming, I've coded a c++ program to solvate (hydrate) a structure (carbon nanotube for instance). Would you please check it out and give me your comments for possible improvement.
The initial parameters may be:
xbox = ybox = zbox = 50
# of water molecules = 50000
min distance for solvent/solute = 5
min distance for solvent/solvent = 2.7