Re: AMBER: NAB to calcuate entropy. .

From: David A. Case <>
Date: Wed, 20 Feb 2008 15:16:14 -0800

On Wed, Feb 20, 2008, Z. Nevin Gerek wrote:

> As far as I know, nsbn is the frequency at which the non-bonded list
> is updated.

If you have an "infinite" (e.g. 9999.) cutoff, then the non-bonded list
never needs to be updated, since it never changes. But it shouldn't hurt
to update the list, either. This is why I am surprised that changing the
value of nsnb has an effect on the result.

I now have test cases from both Nevin and Xuelin, so I will try to see what is
going on.

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Received on Sun Feb 24 2008 - 06:07:13 PST
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