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.ot...@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.mohammady...@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.ot...@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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