From chemistry-request@server.ccl.net Wed Mar 27 08:37:15 2002
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Date: Wed, 27 Mar 2002 21:37:01 +0800 (CST)
From: =?gb2312?q?yong=20pei?= <ypnju@yahoo.com.cn>
Subject: A question about MD
To: chemistry@ccl.net
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dear sir

   I have some problems when I perform MD at constant
 temperature using Nose-hoover method.
   What I want to know is that how to set the initial 
values of the time-scaled factor (s) and its firsr and
higher derivates in the Nose-Hoover equations of
motion.

 
 Regards,
 
 Yong Pei


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