[gmx-users] barostat for gases

[Krzysztof Kuczera]

The ideal gas result is -(1/V)(dV/dp)_T = 1/p  , so I suppose the value 
should be = 1.0  bar-1
under standard conditions
Krzysztof

On 11/8/11 10:51 AM, Dr. Vitaly V. Chaban wrote:
> Could anybody please suggest a convenient compressibility value for MD
> boxes of gases (at normal conditions)?
>
> Thanks.
>


-- 
Krzysztof Kuczera
Departments of Chemistry and Molecular Biosciences
The University of Kansas
2010 Malott Hall
Lawrence, KS 66045
Tel: 785-864-5060 Fax: 785-864-5396 email: kkuczera at ku.edu
http://oolung.chem.ku.edu/~kuczera/home.html