AMBER: Free energy perturbation in SANDER

From: Yumi Nukusina <nuku-ym.09142002.mbox.media.kyoto-u.ac.jp>
Date: Thu, 14 Dec 2006 17:59:36 +0900

Dear All
I want to perform free energy perturbation calculation by SANDER module.
I know it can be done using GIBBS module in AMBER7, but it's retired in
AMBER8.
SANDER module in AMBER8 can perform TI calculation but not free energy
perturbation.

If Free energy perturbation can be performed by SANDER module,
Please tell me how to do?

Thanks.
Yumi


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 Yumi Nukushina
  E-mail : nuku-ym.09142002.mbox.media.kyoto-u.ac.jp
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Received on Thu Dec 14 2006 - 16:48:18 PST
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