Re: [AMBER] Reference for TI derivation

From: Jason Swails <jason.swails.gmail.com>
Date: Thu, 11 Jul 2013 23:19:25 -0400

On Jul 11, 2013, at 10:04 PM, Manikanthan Bhavaraju <manikanthanbhavaraju.gmail.com> wrote:

> Dear All,
>
> I am trying to find an article or book in which a detailed step-by-step
> derivation for the final expression of the free energy term used in the
> thermodynamic integration is given:
>
> ∆ A ≡ A(λ = 1) − A(λ = 0) = ∫ 〈∂V /∂λ 〉 d λ
>
>
> I have read few articles, but am still not satisfied with the details given
> in those papers. Can anybody suggest me any papers or book ?

The Andrew Leach and Chris Cramer books do it justice in my opinion.
>
>
> Thanks,
> mani
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--
Jason Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Thu Jul 11 2013 - 20:30:05 PDT
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