On Sun, Feb 21, 2010, xueqin pang wrote:
>
> I am trying to do entropy calculation with NAB. So far, I can not find
> any tutorials or detailed introductions about NAB. So do you have any
> information on NAB.
The last six chapters of the AmberTools Users' Manual covers NAB from a
variety of perspecctives. It is not clear from your question whether you have
read these or not. Programs like amber11/test/asp.nab illustrate how
entropies can be estimated from normal mode calculations.
...dac
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Received on Sun Feb 21 2010 - 18:30:02 PST
