Dear All,
I am trying to model the wettability of water on graphene-coated copper. I divided the problem into two parts: 1- water model 2- graphene/copper system. I have used a SPCE model for water (with around 1000 atoms). I am now running the script to relax the water model. In the meanwhile I would like to work on the graphene/copper model: I was wondering if it is better to integrate the two parts and simulate them all at once, or should do it sequentially (using a clear command in between the two parts)? Many thanks, in advance.
Karim