Use of additive force field followed by polarizable force field

[julianslipk]

Dear all,

I am in the process of doing a simulation of polymer electrolytes, i had the following idea about the simulation scheme and i want to know how feasible it is. my idea is to initialize the system using an additive force field, polarize the resulting data file, and then run a simulation with a polarizable force field (drude ff). All this with the objective of saving computational cost in the simulation.

Thank you very much!

[akohlmey]

@julianslipk

All this with the objective of saving computational cost in the simulation.

I think this is a very good idea. I have done similar things in the past with ab initio MD simulations, i.e. start with classical MD and then convert to DFT.