[MMTK] Barostat not working properly (Argon example)

Konrad Hinsen hinsen at cnrs-orleans.fr
Tue Aug 21 12:42:41 UTC 2007


On 21.08.2007, at 14:15, Andreas Kring wrote:

> Is there a quick answer to how one can determine the relaxation  
> time of the barostat?

The relaxation time is the second parameter in barostat  
initialization. The default value is 1.5 ps. You can also change the  
relaxation time of a barostat object using the method  
setRelaxationTime().

Konrad.
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Konrad Hinsen
Centre de Biophysique Moléculaire, CNRS Orléans
Synchrotron Soleil - Division Expériences
Saint Aubin - BP 48
91192 Gif sur Yvette Cedex, France
Tel. +33-1 69 35 97 15
E-Mail: hinsen at cnrs-orleans.fr
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