Re: [AMBER] membranes

From: Hannes Loeffler <>
Date: Wed, 31 Mar 2010 17:00:11 +0100

On Wed, 31 Mar 2010 17:44:26 +0200
Vlad Cojocaru <> wrote:

> Of course, this would be the ideal case but most of the all-atom ff
> that I am aware of have the same problem .. I don't think its only an
> AMBER problem

That's my observations too. Eventually, I think it's all a compromise
depending on what one is interested in. We currently run simulations
with NAMD and the CHARMM force fields. I decided to go with constant
surface area to fix the area per lipid. Order parameters and bilayer
thickness seem to work out reasonably fine.


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Received on Wed Mar 31 2010 - 09:30:03 PDT
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