AMBER Archive (2006)

Subject: AMBER: Free energy perturbation in SANDER

From: Yumi Nukusina (nuku-ym_at_09142002.mbox.media.kyoto-u.ac.jp)
Date: Thu Dec 14 2006 - 02:59:36 CST

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_at_09142002.mbox.media.kyoto-u.ac.jp
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