AMBER Archive (2004)

Subject: AMBER: Nose Hoover chain thermostat

From: Byungchan Kim (
Date: Fri Jan 30 2004 - 19:35:08 CST

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
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

I am looking forward to wise answers.

Thank you.

Byungchan Kim

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