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.
Cheers,
El mié., 16 sept. 2020 a las 14:50, Chetna Tyagi (<cheta231.gmail.com>)
escribió:
> 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
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> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Stephan Schott Verdugo
Biochemist
Heinrich-Heine-Universitaet Duesseldorf
Institut fuer Pharm. und Med. Chemie
Universitaetsstr. 1
40225 Duesseldorf
Germany
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Received on Wed Sep 23 2020 - 09:00:02 PDT
