[gmx-users] Martini parameters for monoolein

Javier Cerezo jcb1 at um.es
Thu Oct 14 10:02:54 CEST 2010

Sorry, for the mistake: not Tieleman's website, but Martini's.

POPG, is an example for PG lipid. In that one, the OH-C-C-OH is 
represented with a P4 particle as Xavier proposed.


El 14/10/10 09:57, Javier Cerezo escribió:
> 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.
> Javier
> 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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