AMBER: NMR average structure

From: Gigil Toton <>
Date: Wed, 20 Aug 2008 10:42:08 -0700 (PDT)

Hi all,
if we suppose that the NMR input structure, which is defined in the biological conditions is the average conformation, is it logical to get some differences in the final structure of MD simulations which is performed in the same biologic conditions. as i have see in papers the authors compare the initial structure and the final one which they get from md simulations without doing any changes ( like mutations). could it be a true statement.
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Received on Sun Aug 24 2008 - 06:07:16 PDT
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