Dear Javier,
Thank you for you suggestions. I am looking into these things and for
sure take yours and Xavier's earlier comments into account.
Sincerely,
George
On 10/14/2010 3:57 AM, Javier Cerezo wrote:
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
--
George Khelashvili, Ph.D.
Department of Physiology and Biophysics
Weill Medical College of Cornell University
1300 York Avenue, Room LC501
New York, NY, 10065, USA
gek2...@med.cornell.edu
Phone: 1-212-746-6539
Fax: 1-212-746-6226
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