Hi,
I just wonder how the Langevin Dynamics (LD) works in Amber. When we set gamma_ln > 0, do we use LD exclusively? Do we invoke Newtonian dynamics in this case?
Could you please explain how is this related to temperature regulation? Can we run Newtonian dynamics with Langevin thermostat?
Sincerely,
Qian
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Received on Mon Jul 16 2012 - 16:00:02 PDT
