AMBER: Temperature controlling method in AMBER

From: tinni sona <tinni.217.gmail.com>
Date: Tue, 3 Jun 2008 15:13:11 +0530

Hi All,

I am wondering whether the Nose-Hoover chain thermostating or the 'extended
phase space' approach implemented in AMBER.

Although computationally expensive, but this is possibly the best
non-Hamiltonian MD scheme capable of generating proper NVT or NPT ensemble
distribution.

regards
madhurima

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Received on Wed Jun 04 2008 - 06:07:40 PDT
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