From owner-chemistry@ccl.net Mon Jun  2 15:12:00 2014
From: "Haya Kornweitz hayak_-_ariel.ac.il" <owner-chemistry]~[server.ccl.net>
To: CCL
Subject: CCL: Protein and Solvent Effects
Message-Id: <-50145-140602150933-22571-8es0XnHrSoX8juc+EmKsdA]~[server.ccl.net>
X-Original-From: "Haya  Kornweitz" <hayak!A!ariel.ac.il>
Date: Mon, 2 Jun 2014 15:09:32 -0400


Sent to CCL by: "Haya  Kornweitz" [hayak#%#ariel.ac.il]
Dear CCLs
I am interested in DFT calculation of the active site of an enzyme (SOD) using 
g09.
Is there a recommended procedure to take into account Protein and Solvent 
Effects? Are the PCM models relevants?
Please let me know how you suggest to deal with this matter.
Thanks
Haya