|From:||#KIEU TRUNG HIEU# <KIEU0001@...2775...>|
|Date:||Wed, 16 May 2018 03:00:08 +0000|
Dear LAMMPS users,
I'm going to build a simulation of water behavior with a Graphene oxide-Zif8 composite. The problem is the domain of the system is too large (20x20x15 nm3) and thus I'm thinking about doing coarse-graining of water molecules. However, I want to maintain the atom structure of the GO/MOF composite.
I would like to ask whether it is possible to have coarse-grained atom and full-atom in a LAMMPS simulations? Have anyone done that before in the literature?
Thanks a lot.