[gmx-users] on non-equilibrium MD

[Brett]

Dear All,

For non-equilibrium MD, does it mean there would be no need for the energy minimization step, NVT equilibrium step and NPT equilibrium step before the production MD? In which situation we use non-equilibrium MD, and in which situation we use the production MD with energy minimization step, NVT equilibrium step and NPT equilibrium step?

Brett