I have a general question about NVT dynamics using Nose Hoover chain
thermostating method.
1. Say, I want to set thermostat chain for each atom or each degree of
freedom.
Then, what thermostat frequency which will determine themostat mass should
I use? Is there any set rule for this?
2. Unless I use correct frequency, can't I see the conserved quantity
conserved?
I am looking forward to wise answers.
Thank you.
Byungchan Kim
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Received on Sat Jan 31 2004 - 01:53:00 PST
