terminal base pair opening

From: Peter Varnai <Peter.Varnai_at_ibpc.fr>
Date: Mon 2 Apr 2001 14:19:54 +0200 (CEST)

Dear Amber users,

I wonder what people think of the terminal base
pair opening of short (e.g. 12mer) DNA sequences
in MD simulations at 300 K. Should it be prevented
by e.g. small distance constraints between H-bonded
atoms to mimic a normal stacking in a longer DNA
strech, or it would introduce a bigger artifact in
the model. Would this effect be significant 3-4 steps

Thanks for your comments.

Peter Varnai
Received on Mon Apr 02 2001 - 05:19:54 PDT
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