Re: [AMBER] hydroxyapatite force field parameters

From: Tal Duanias <tal.duanias.mail.huji.ac.il>
Date: Mon, 7 Oct 2019 20:09:23 +0300

Thanks a lot!

I will check it out

All the best,
Tal



On Mon, Oct 7, 2019, 17:17 Pengfei Li <ambermailpengfei.gmail.com> wrote:

> Hi Tal,
>
> This webpage maybe helpful:
> http://ambermd.org/tutorials/advanced/tutorial27/index.htm <
> http://ambermd.org/tutorials/advanced/tutorial27/index.htm>.
>
> Pengfei
>
> > On Oct 7, 2019, at 3:20 AM, Tal Duanias <tal.duanias.mail.huji.ac.il>
> wrote:
> >
> > Dear Sir/Madam,
> >
> >
> >
> > I am trying to simulate the interaction between a short peptide
> (containing
> > sulfur in methionine) and hydroxyapatite (Ca, PO4, OH)
> >
> > Unfortunately, I could not find the necessary parameters for the force
> > field calculation in existing literature
> >
> > I would greatly appreciate it if anyone can direct me to similar
> > parameters, or a databases that may contain them
> >
> >
> >
> > Best regards,
> >
> > Tal Duanis-Assaf,
> >
> >
> >
> > Prof. Meital Reches research group,
> >
> > Institute of chemistry,
> >
> > Hebrew university of Jerusalem, Israel
> > _______________________________________________
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> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Mon Oct 07 2019 - 10:30:01 PDT
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