[gmx-users] Re: RE: heat appears
feenstra at chem.vu.nl
Mon Nov 3 10:04:02 CET 2003
Nguyen Hoang Phuong wrote:
>>>>I use the twin-range cutoff 0.8/1.2 and the temperature of the system
>>>>consisting of 500 H2O increased up to 310K while the reference temperature
That sounds about right, though you may try nstlist=5 in stead.
> that is true, but just would like to understand the problem.
There are many papers written on this.
> but the artificial force can slow down the atoms --->decrease in
It can - sometimes. Most atoms are sped up, so on average temperature increases.
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