From: Dhiraj Srivastava (dhirajks_at_gmail.com)
Date: Mon Jan 15 2007 - 01:45:37 CST
I was running MD simulation in NVE ensemble and after running for
about 1 ns, i found that C:CA bond is getting stretched and after about 3
ns, this bond is almost 3.68 A long. What may be the reason for this
problem and how can i solve this problem? during equilibration phase i
heated my system from 0 to 300 K by constraining backbone atoms not to move
and every other atom was allowed to move.
Thank you for your help.
-- Dhiraj Kumar Srivastava Department of Chemistry University of Missouri-Columbia MO, 65211
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