[gmx-users] MARTINI parameters for dodecyl maltoside (DDM)

[XAvier Periole]

Thee are not yet parameters for DDM but indeed the parameters for both  
the head and the tail are defined separately. It would be very useful  
to combine them and start building a detergent parameter library ...  
the topologies would have to be tested against experimental and/or  
atomistic data. I believe there must be an enormous amount of data on  
the phase behavior of DDM and other thermodynamic data.

On May 21, 2012, at 3:35 PM, Dariush Mohammadyani wrote:

> Sure, this is the way to make forcefield for your molecule. Also,  
> please check literature.
>
> Good luck,
> Dariush
>
>
>
> On Mon, May 21, 2012 at 9:26 AM, francesco oteri <francesco.oteri at gmail.com 
> > wrote:
> Hi Dariush,
> I've checked but it seems there no parameters for my detergent.
>
> Actully there are parameters for the polar head and the lipidic  
> tail, so it is worth trying to merge them
> to have the correct representation!
>
> Francesco
>
> 2012/5/21 Dariush Mohammadyani <d.mohammadyani at gmail.com>
> Have you checked MARTINI website?
> http://md.chem.rug.nl/cgmartini/index.php/downloads/force-field-parameters
>
> Dariush
>
>
>
>
> Kind Regards,
> Dariush Mohammadyani
> Department of Structural Biology
> University of Pittsburgh School of Medicine
> Biomedical Science Tower 3
> 3501 Fifth Avenue
> Pittsburgh, PA 15261
> USA
>
>
>
> On Sun, May 20, 2012 at 1:01 PM, francesco oteri <francesco.oteri at gmail.com 
> > wrote:
> Dear gromacs users,
> does someone of you know whether parameters for the detergent  
> dodecyl-beta-maltoside
> are avalaible in MARTINI forcefield?
>
> Thank you in advance,
> Francesco
>
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> -- 
> Cordiali saluti, Dr.Oteri Francesco
>
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