Re: [AMBER] NEB calculation using amber 11

From: Carlos Simmerling <carlos.simmerling.gmail.com>
Date: Mon, 23 May 2011 13:16:47 -0400

please tell us more about what you are doing. How did you set the initial
structures? What exactly did you do? also, did you perform the tutorial?
On Mon, May 23, 2011 at 1:14 PM, Buddhadev Maiti <chebm.langate.gsu.edu>wrote:

> 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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