AMBER Archive (2005)

Subject: Re: AMBER: TI tutorial in Amber 8

From: David A. Case (case_at_scripps.edu)
Date: Wed Jun 08 2005 - 23:27:42 CDT

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.

...dac

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