Re: AMBER: TI tutorial in Amber 8

From: David A. Case <>
Date: Wed, 8 Jun 2005 21:27:42 -0700

On Wed, Jun 08, 2005, huhu wrote:
> I can??t understand how to estimate free energy value by trapezoid method.
> I know my formula is wrong,
> but I don??t understand the exact method to estimate the integral by hand.

If you just Google for "integral trapezoid method" you will get lots of hits;
the first one probably explains the trapezoid method more clearly than I can.


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Received on Thu Jun 09 2005 - 05:53:00 PDT
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