AMBER Archive (2005)

Subject: Re: AMBER: Disulfide bond

From: Carlos Simmerling (carlos_at_ilion.bio.sunysb.edu)
Date: Fri Apr 08 2005 - 09:54:46 CDT


I did a goodle search for "amber disulfide" and got lots of hits.
you might want to look through those and then let us know if
something still isn't clear.
carlos

michael chen wrote:

>I am wondering generally how to incorporate a
>disulfide bond in the all-atom simulation.
>Does people simulate a disulfide bond as covalent-bond
>or sth.? Does anybody happen to know some literature?
>If as a covalent-bond, how to define it in amber
>preparation?
>Thanks.
>
>Michael
>
>
>
>
>
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