[gmx-users] barostat for gases

[Dr. Vitaly V. Chaban]

Looks generally reasonable. Thanks!  - Vitaly


On Tue, Nov 8, 2011 at 12:20 PM, Krzysztof Kuczera <kkuczera at ku.edu> wrote:
> 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