[gmx-users] forcefields for lipids

[Thomas Piggot]

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-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)?
>>
>> Cheers
>>
>> Tom

-- 
Dr Thomas Piggot
University of Southampton, UK.