Re: [AMBER] adding lysyl-phosphatidylglycerol and cardiolipin

From: Stephan Schott <>
Date: Wed, 23 Sep 2020 17:33:07 +0200

Hi Chetna,
Sorry for the late response. At least in packmol-memgen there is no model
for lysyl-phosphatidylglycerol. If you want to add them, you would have to
parametrize the headgroup following the Lipid11/14 rationale and modify the
parameter file included within the script. Send me a message if you are
interested in that.
For cardiolipins, if you have AmberTools20, you can add them directly from
the script; please check the manual entry about this. These lipids have not
been published at the moment, so used them with care.

El mié., 16 sept. 2020 a las 14:50, Chetna Tyagi (<>)

> Dear AMBER users,
> Could anyone direct me on how to incorporate lysyl-phosphatidylglycerol and
> cardiolipin lipids in the membrane models using packmol?
> Or other methods that I can use?
> Thank you.
> --
> Chetna Tyagi
> Hungary
> _______________________________________________
> AMBER mailing list

Stephan Schott Verdugo
Heinrich-Heine-Universitaet Duesseldorf
Institut fuer Pharm. und Med. Chemie
Universitaetsstr. 1
40225 Duesseldorf
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Received on Wed Sep 23 2020 - 09:00:02 PDT
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