Subject: A question about MD

From: yong pei <[email-masked]>
Date: Wed, 27 Mar 2002 21:37:01 +0800 (CST)

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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