Dear LAMMPS users and developers,
I am new to LAMMPS and I have one quick question:
I am studying the interaction between a liquid molecule and a solid plate. To equilibrate the system, I did the following:
- I equilibrated the solid plate alone by fixing the NVT ensemble at 300K,
- then, I equilibrated the liquid molecule alone by fixing the NVT ensemble at 300K,
- then, I put the solid plate and the liquid molecule together in the same simulation separated by a given distance.
My question is: Do I need to re-equilibrate the whole system again ? or is the equilibration of the 2 subsystems separately enough ?
Thank you for your help and sorry if this question is more about the concept of equilibration itself rather than about LAMMPS.