[gmx-users] forcefields for lipids
shima_arasteh2001 at yahoo.com
Tue May 22 17:21:55 CEST 2012
Is this FF available for others to use?
From: Thomas Piggot <t.piggot at soton.ac.uk>
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Sent: Tuesday, May 22, 2012 7:39 PM
Subject: Re: [gmx-users] forcefields for lipids
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).
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.
> On May 22, 2012, at 15:40 , gmx-users-request at gromacs.org wrote:
>> Date: Tue, 22 May 2012 13:49:48 +0100
>> From: Thomas Piggot <t.piggot at soton.ac.uk>
>> Subject: Re: [gmx-users] forcefields for lipids
>> To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>> Message-ID: <4FBB8B6C.70101 at 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)?
-- Dr Thomas Piggot
University of Southampton, UK.
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