[gmx-users] POPG-Martini Force Field

[XAvier Periole]

On Oct 22, 2009, at 11:28 PM, Amit Choubey wrote:

>
>
> On Thu, Oct 22, 2009 at 9:53 AM, S hv <solar30 at hotmail.com> wrote:
> Hi,
>
> I am currently working with peptide/lipids interactions using the  
> martini force field. I want to built a bacterial membrane, so I  
> trying to find the
> topology of the POPG lipid but until now without success.
>
>
> In the martini_v2.0_lipids.itp file, the PG lipids are no included.  
> I have seen some works using the martini force field and POPG  
> lipids, e.g., " The molecular mechanism monolayer PNAS 105,  
> 10803-10808", but they don't specify the topology of POPG lipids.
>
> You can do this on your own just pull out the atomic structure of  
> DPPC and POPG from any website. Compare atomistic DPPC with the  
> Coarse Grained DPPC and it wont be hard to figure out the POPG CG  
> topology.
That is certainly not that easy. A lot of parameterizations efforts  
have to be
involved.
>
> BTW, the paper does give a short description about the topology of  
> POPG
The best is probably to ask the authors of that paper to share their  
topology,
which they should.
>
>
> I also tried in the martini web page, but I just found the  
> martini_v2.0_lipids.itp file.
>
> Could anyone help me to find such topology?
>
> Thanks a lot for your time,
>
> Salvador
>
> Windows Live: Make it easier for your friends to see what you’re up  
> to on Facebook.
>
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