Re: [AMBER] hydroxyapatite force field parameters

From: Pengfei Li <ambermailpengfei.gmail.com>
Date: Mon, 7 Oct 2019 10:13:38 -0400

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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Received on Mon Oct 07 2019 - 07:30:03 PDT
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