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
_________________________________________________________
Do You Yahoo!?
汽车 -- 永不厌倦的话题
http://survey.yahoo.com/cgi-bin/carsurvey/survey.cgi