[gmx-users] Martini parameters for monoolein

Javier Cerezo jcb1 at um.es
Thu Oct 14 09:57:08 CEST 2010

Hello George.

I would inspect PG lipid head (in Tieleman's website) in order to 
extract the parameters for some groups, such as the "glicero-ester" 
(atom name GL0 in the topology), and then take a particle for usually 
used for esters such as "Na". Anyway, even that topology for Tieleman is 
noted as "trial topology", so i guess you shold try different attemps 
and compare with trusted values.


El 13/10/10 19:42, George Khelashvili escribió:
>  Dear users,
> I am trying to build Martini topology for monoolein molecule (I assume 
> that no such topology exists at this moment). It is obvious that the 
> tail part of the molecule is similar to DOPC lipid tail, however I am 
> not sure how to parametrize the head-group of monoolein. I would 
> appreciate if somebody could provide a guidance on this matter.
> Thank you,
> George

Estudiante de Doctorado
Dpto. Química-Física
Universidad de Murcia
30100 MURCIA (España)

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