Steered molecular dynamics For each aton:□ n2-=∑E1N Fi represents the force applied to the ith atom by he h atom(all the force interactions) determined as the gradient of the potential energy. Steered molecular dynamics( smd)is the forced unfolding of a protein to reveal new conformational states† Steered Molecular Dynamics� For each atom:� m i i d 2 xi dt 2 = Fij j=1 N Â = 1, …N Fij represents the force applied to the i th atom by the j th atom (all the force interactions), determined as the gradient of the potential energy. Steered molecular dynamics (SMD) is the forced unfolding of a protein to reveal new conformational states