AMBER Archive (2006)

Subject: AMBER: mm-pbsa: distant-dependent dielectric constant

From: lhsong (lsong_at_mail.rockefeller.edu)
Date: Sat Apr 08 2006 - 13:30:56 CDT


Dear Amber,
In MM-PBSA, Nmode is used for entropy calculation. Why it is necessary to use distant-dependent dielectric constant (4r) to minimize the structure? another question, can I use GB model for minimization?

Thanks for your help.

Lh

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