Re: [AMBER] Internal energy linear increase with temperature (David A Case)

From: David A Case <>
Date: Mon, 20 Aug 2012 16:40:43 -0400

On Mon, Aug 20, 2012, Binwu Zhao wrote:

> But I'm still confused, isn't it the kinetic
> energy get the kT/2 term?

No: both the mean kinetic energy and the mean potential energy will have kT/2
for each degree of freedom (each squared term in the Hamiltonian). This is
discussed in many statistical mechanics and physical chemistry texts as the
"equipartition principle." But no need to use anything as old-fashioned as
a textbook!::


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Received on Mon Aug 20 2012 - 14:00:06 PDT
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