From: Jiang Jianwen <>
Date: Thu, 15 Jun 2006 19:37:24 +0800

Dear all,
I am not sure if "RMS FLUCTUATIONS of Energy (<U^2> - <U>^2)" from a
NVT MD simulation can be related to heat capacity Cv in the following
Cv = (<U^2> - <U>^2) / (kT^2)
Note that in a NVT ensemble with temperature coupling, T fluctuates.
Thank you for your comments.
Jianwen Jiang

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Received on Sun Jun 18 2006 - 06:07:13 PDT
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