difference in total energy values

From: Osman Yogurtcu (karmatech_at_yahoo.co.uk)
Date: Wed Mar 15 2006 - 13:59:44 CST

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Hi,
   
  Recently, I calculated and compared the total energy values (per frame) of a NAMD simulation both with NAMDDAT and MDenergy. The values are not even close. Does anybody know the reason why this might be the case?
   
  thanks,
   
  Osman N. Yogurtcu
  Center for Computational Biology and Bioinformatics
Research Assistant
Koc University

                
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