AMBER: AMBER entropy calculation

From: Thomas Leonard <thomasj.bii.a-star.edu.sg>
Date: Thu, 15 May 2008 07:00:45 +0800 (SGT)

Dear prof Ross,

I would like to know the diference between TSTOT (in the statistics.out)
and the total (in com.all.out)
TSTOT usually in the range of 1200 and the total in the range of 4000.

what are the conversion factors invovled?

Thanks,

Thomas




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Received on Sun May 18 2008 - 06:07:15 PDT
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