I have a question about setting charges in molecular dynamics in Discover. Is it possible to include the electrostatic interactions by using of the electric charges

optimized by another calculations. Let's say that I would like to perform the NPT simulation including the atomic charges obtained with DFT from Gaussian09 for example.

I am inspired by a paper, where people were using Fujitsu MASPHYC program in order to do some NPT computations and they were using Ewald method with the electric charges

optimized by molecular orbital (MOPAC ESP) calculations. Peace!