RE: [AMBER] membranes

From: Matthew Tessier <matthew.tessier.gmail.com>
Date: Wed, 31 Mar 2010 11:22:58 -0400

Adrian,
We've developed lipid simulations for DMPC and fragment-based models for
several other lipids using the GLYCAM06 force field. We've succeeded in
getting DMPC to simulate with respect to the density and thickness, but
we've had to make adjustments to the force field that we aren't ready to
release yet. Please feel free to email me if you'd like to discuss the
changes we've made.

Matthew Tessier
mbt3911.uga.edu
matthew.tessier.gmail.com
Woods' Lab Room 1092
Complex Carbohydrate Research Center - University of Georgia

-----Original Message-----
From: amber-bounces.ambermd.org [mailto:amber-bounces.ambermd.org] On Behalf
Of Adrian Roitberg
Sent: Wednesday, March 31, 2010 10:29 AM
To: AMBER Mailing List
Subject: [AMBER] membranes

Dear all,

I am looking for one or two people that have tried and succeeded in
modeling membranes (DMPC, POOC, DOPC) using amber.

Please answer off line to me if you can, so I can ask some questions.

Thanks !

Adrian

-- 
                            Dr. Adrian E. Roitberg
                              Associate Professor
                             Quantum Theory Project
                            Department of Chemistry
                  Senior Editor. Journal of Physical Chemistry
                           American Chemical Society
University of Florida                         PHONE 352 392-6972
P.O. Box 118435                               FAX   352 392-8722
Gainesville, FL 32611-8435                    Email adrian.qtp.ufl.edu
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Received on Wed Mar 31 2010 - 08:30:06 PDT