Thanks Joakim,
I will be very interested to see how these different lipids behave. This
looks like it could be a really useful force field. We have also
developed some parameters for PE, PG and Cardiolipin lipids which you
might want to have a look at (for comparison with your ongoing parameter
development). Details regarding the behaviour of these lipids are in the
supporting info of this paper
(http://pubs.acs.org/doi/abs/10.1021/jp207013v).
Cheers
Tom
Joakim Jämbeck wrote:
Hi Tom,
we have parameters for unsaturated tails now as well as for PE lipids ready for
use, the manuscript for these have been submitted.
PG and PS lipids are on the way and parameters for cholesterol and
sphingomyelin are finished now and the manuscript should be finished relatively
soon.
Best,
J
On May 22, 2012, at 15:40 , gmx-users-requ...@gromacs.org wrote:
Date: Tue, 22 May 2012 13:49:48 +0100
From: Thomas Piggot <t.pig...@soton.ac.uk>
Subject: Re: [gmx-users] forcefields for lipids
To: Discussion list for GROMACS users <gmx-users@gromacs.org>
Message-ID: <4fbb8b6c.70...@soton.ac.uk>
Content-Type: text/plain; charset="ISO-8859-1"; format=flowed
Hi Joakim,
I am interested to know what other lipids this force field has been
extended to include. Do you have parameters for unsaturated lipid tails
and other classes of phospholipid (such as PE and PG)?
Cheers
Tom
--
Dr Thomas Piggot
University of Southampton, UK.
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