Hello everyone,

Now I want to perform steered molecular dynamics (SMD) simulation to determine the interfacial traction-separation behavior between epoxy and graphene. In SMD simulation, the mass center of epoxy molecule is subject to the pulling force with a constant pulling rate of 2.5 m.s^-1 and a spring constant of 200 kcal.mol^-1.Å^2 . 

Can anyone help me?

Thank you very much.