AMBER Archive (2006)

Subject: RE: AMBER: Amber: disufide bond

From: Fenghui Fan (fenghui_fan_at_yahoo.com)
Date: Sun Nov 05 2006 - 08:02:48 CST

When you are ready on it, please send a copy to me as
an attachment of the e-mail.

Best regards.

Fenghui Fan

--- hayden <s0237717_at_sms.ed.ac.uk> wrote:

>
> Hi Fenghui
>
> It's not possible at this moment to have mobile
> cysteine bonds that form and
> break during a single simulation. I suffer from the
> same problem with 3
> cysteine bridges. I have some code that I wrote
> which performs cys-cys bond
> breaking and forming, which you're welcome to,
> though it hasn't been tested
> or peer-reviewed (other than by my supervisor). In
> essence it bonds cys to
> cys via a distant dependent probabilistic function.
> I'm in the process of
> upgrading it, the new bug-free version should be
> ready in a couple of weeks
> if you're interested....
>
> Best
>
> Hayden
>
>
>
>
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