[gmx-users] Calculation of Cv
ghimiresunil48 at gmail.com
Mon Aug 31 14:15:04 CEST 2015
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?
> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
> Department of Pharmaceutical Sciences
> School of Pharmacy
> Health Sciences Facility II, Room 629
> University of Maryland, Baltimore
> 20 Penn St.
> Baltimore, MD 21201
> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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