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
--
Javier CEREZO BASTIDA
Estudiante de Doctorado
---------------------
Dpto. Química-Física
Universidad de Murcia
30100 MURCIA (España)
Tlf.(+34)868887434
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