In molecular dynamics simulations you apply and solve Newton’s equations of motion for a set of atoms to obtain real dynamical information on how individual atomic positions change as a function of time.
Why can't this same method be used to determine atomistic mechanisms via which chemical processes occur? Is it because the length of time which you run simulations isn't long enough? Also what difficulties are there with solving these equations numerically in MD simulations ?
Im confused on these points.. Any help would be appreciated. Thanks