[gmx-users] Nose-hoover T-coupling nsttcouple

Qin Qiao qiaoqin47 at gmail.com
Tue Dec 21 13:52:37 CET 2010


Dear all,

I wonder what will happen in Nose-hoover coupling when tau_t = dt *
nsttcouple, while nsttcouple = nstlist. (I used -maxwarn 1 to ignore the
Gromacs warning)

I tried this setting, to find the temperature is OK, but I am not sure
whether it will introduce some artifacts in the simulation and what kind of
artifacts. Could you tell me? Thanks in advance.

Best,

Qin
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