[gmx-users] Calculation of Cv

[Sunil Ghimire]

Dear sir,
    Thanks for suggestion.This is the theoritical approach.I want to known
how can we obtain Cv from the production run done with NVT ensemble? Is it
possible to obtain from g_energy ?
On 31 Aug 2015 17:18, "Justin Lemkul" <jalemkul at vt.edu> wrote:

>
>
> On 8/30/15 10:41 PM, Sunil Ghimire wrote:
>
>> Dear sir,
>>       How can we calculate the value  of Cv for noble gases?
>>
>>
> http://hyperphysics.phy-astr.gsu.edu/hbase/kinetic/shegas.html
>
> -Justin
>
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> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
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