From chemistry-request _-at-_)server.ccl.net Wed Dec 19 22:46:01 2001
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Date: Thu, 20 Dec 2001 11:45:33 +0800 (CST)
From: =?gb2312?q?yong=20pei?= <ypnju.,at,.yahoo.com.cn>
Subject: MD at constant temperature
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Dear sir

  Now, I perform a MD simulation of atomic system at
constant temperature with Nose-Hoover scheme (Molec.
Phys.52, 255, 1984.).The gear predict-corrector method
was used . ,Then, how can I determine the initial
values of s.derivate of s in the formular?

 Regards,

 yong Pei

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