[AMBER] NEB calculation using amber 11

From: Buddhadev Maiti <chebm.langate.gsu.edu>
Date: Mon, 23 May 2011 13:14:13 -0400

Dear Amber Users,
I am performing NEB calculation for DNA. I used all atoms in the mask
and force constant 200 kcal/mol-Å^2. From the NEB simulation, the beats
(replicas) are top of the each other. Could you please give reply, what
will be the problem, it will be great help for me.
Have a nice day,
Thanks,
Maiti

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Received on Mon May 23 2011 - 10:30:03 PDT
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