[gmx-users] temperature coupling strength

Seunghyun Chung chungsh at umich.edu
Mon Nov 10 16:42:34 CET 2008

Deal all,
Is there any practical approach to choose the right temperature coupling 
strength for a simulation? For example, if a system behaves differently 
with weak coupling and strong coupling, which result I should trust? 
Also, I thought giving a very weak nose-hoover thermostat coupling would 
be similar to the NVE simulation. However, when I run the simulation, 
the system behaves very weirdly by constantly accelerating and slowing 
down. will there be any explanation on this behavior?

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