AMBER: mm-pbsa: distant-dependent dielectric constant

From: lhsong <lsong.mail.rockefeller.edu>
Date: Sat, 8 Apr 2006 16:00:56 -0230

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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Received on Sun Apr 09 2006 - 06:07:03 PDT