Dear Stephan,
Thank you for your suggestion.
Yes, I am interested in learning how to parameterize new lipid groups.
Very grateful for your help.
-Chetna Tyagi
On Wed, Sep 23, 2020 at 5:33 PM Stephan Schott <schottve.hhu.de> wrote:
> 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
> > _______________________________________________
> > AMBER mailing list
> > 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
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Best wishes
Chetna
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Received on Thu Sep 24 2020 - 05:30:02 PDT
