On Tue, Apr 26, 2005, pascal.baillod.epfl.ch wrote:
> Thank you very much for your answer. Unfortunately, the input file I sent you
> does not do that for langevin dynamics.
But did you try moving the target temperature slowly from the desired
starting value to the desired ending value? I think you will have to play
with things yourself until you get the behavior you desire. Langevin dynamics
will indeed to quickly to the target temperature, which is why I suggested
changing the target temperature slowly.
....dac
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Received on Tue Apr 26 2005 - 16:53:01 PDT
