About the namd tutorial err

From: Aurum Bai (javacfish_at_yahoo.com.cn)
Date: Tue Aug 18 2009 - 23:55:01 CDT

Hello everyone.

When I do the "Temperature distribution" part of namd tutorial from the http://www.ks.uiuc.edu/Training/Tutorials/namd/namd-tutorial-unix-html/node13.html , the math formula is not corespond to the compute result.

The problem as below:
Temperature fluctuations get this formula:
p(T)=c*exp(-T)^2/2o^2

But when I use the "xmgrace" computing:y= a0 * exp(-(x-a1)^2/a2)
The tutorial say a2 = o^2.

but I do not believe it. I think it is a2 = 2*o^2.

Is it? Could someone give me suggest?

Thanks
Aurum

      

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