[AMBER] entropy calculation using nmode

From: Asfa Ali <asfa.iisc.gmail.com>
Date: Wed, 4 Aug 2010 16:16:59 +0530

Hi,

I want to perform entropy calculation using nmode module of Amber 9. The
number of atoms in the macromolecule (DNA) and ligand are 717 and 90
respectively (Total no. = 807)

I found out from the Mailing List Archive that that there is limit of 8000
atoms but is this applicable for Amber 9 ? If not, will my calculation be
computationally expensive ? How long may it take to run in a single CPU?

Thanks a lot...
Asfa.
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Received on Wed Aug 04 2010 - 04:00:03 PDT
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