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

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu