Re: [AMBER] Glycerol Models

From: Mannan <malie_03.yahoo.co.in>
Date: Wed, 17 Feb 2010 20:20:27 +0530 (IST)

Hi,
Thanks for the answer,
How do I built the system with Glycerol or Glycerol water mix,
What is the technique involved?
 
Mannan

--- On Sat, 13/2/10, FyD <fyd.q4md-forcefieldtools.org> wrote:


From: FyD <fyd.q4md-forcefieldtools.org>
Subject: Re: [AMBER] Glycerol Models
To: "AMBER Mailing List" <amber.ambermd.org>
Date: Saturday, 13 February, 2010, 2:15 PM


Dear Mannan,

> I would like to use glycerol instead of TIP3P water models in my  system of interest.

You could try to build a box of glycerol or glycerol/water mixture.
However, the problem with glycerol is its viscosity...
Please see: http://pubs.acs.org/doi/abs/10.1021/jp076301d

regards, Francois



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Received on Wed Feb 17 2010 - 07:00:03 PST
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