Dear Balazs !
Thanks I just read your paper, which I had on a pile anyways.
Now, the conclusions you have is that it works as long as you add the
external surface tension.
As you discuss in the paper, I believe one should not need that extra
term, and a simple constant pressure simulations should find its optimal
area per lipid.
Amber does not have a surface tension term, so I am trying to as: is
there a good set of parameters for popc that gives you the correct area
per lipid and order parameters WITHOUT needing a surface tension term ?
Please let me know if you guys have thought about this and what your
ideas are.
Thanks !
On 3/31/10 10:56 AM, Balazs Jojart wrote:
> Dear Adrian,
> My name is Balazs Jojart, and we are the authors of the JCompChem article:
> Performance of the general amber force field in modeling aqueous POPC
> membrane bilayers.
> Cheers,
> Balazs
>
> Adrian Roitberg wrote:
>> 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
>>
>
>
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--
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 - 08:30:07 PDT
