Hi all,
I have to hydrated a nanoparticle with water. I build my system like folowing (because a full packing task doesn't work with my big number of water molecule) : I make a box with water, I make a empty hole into it, and put my particle in.
I use the Packing task for adjust density by adding water around nanoparticle , but the final result is not homogenous like a full Packing task use. I try to perform geometry optimisation but I don't have the wanted result, the repartition of water is not the same in the ex-hole area and the rest of the box.
If someone has an idea...
Best