CCL: PCM and pH

From: "Gustavo Mercier" <gamercier###yahoo.com>
Subject: CCL: PCM and pH
Date: Sun, 21 Mar 2010 08:57:43 -0400

 Sent to CCL by: "Gustavo  Mercier" [gamercier|,|yahoo.com]
 Hi!
 I am interested in running PCM calculations using variable pH. I did a quick STN
 search and came empty handed.
 1. Has someone worked on such modeling scheme?
 2. If not, what alternatives are there using continuum models for solvation with
 variable pH?
 Thanks!
 G. Mercier
 gamercier ~ yahoo.com
 gumercie ~ bu.edu
 Gustavo.Mercier ~ bmc.org