Running thermal unfolding with nose hoover langevin piston

From: Zhang, Wei (
Date: Fri Aug 24 2007 - 11:53:25 CDT

Thanks for your reply.
I have another question. I am running MD simulations at very high temperature, e.g. 510K. During the 10ns simulation, the volume of the water box is increased 60%, however, at that high temperature, shouldn't water evapourate resulting in a much bigger volume?
Anyone knows why?
Thanks again.
Wei Zhang

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