Hi,all:
Now,in my MD simulations, there are two materials. I want to use LJ12-6 for one, and LJ9-6 for the other one.
How can I combine them in Lammps to start my MD jobs?
Thanks!
Hi,all:
Now,in my MD simulations, there are two materials. I want to use LJ12-6 for one, and LJ9-6 for the other one.
How can I combine them in Lammps to start my MD jobs?
Thanks!
Hi,all:
Now,in my MD simulations, there are two materials. I want to use LJ12-6 for one, and LJ9-6 for the other one.
How can I combine them in Lammps to start my MD jobs?
Use pair style hybrid. But you first have to find out, how the two
materials interact with each other.
Axel.