[gmx-users] barostat for gases

Krzysztof Kuczera kkuczera at ku.edu
Tue Nov 8 18:20:11 CET 2011

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

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

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