Re: [AMBER] minimization really make protein better?

From: Carlos Simmerling <carlos.simmerling.gmail.com>
Date: Mon, 29 Mar 2010 07:35:28 -0400

you don't give us enough information to help you.
what was the initial structure? how was it generated? (xray, NMR, model,
random guess?)
what amber version, what force field, what conditions, what kind of
minimization?

On Mon, Mar 29, 2010 at 12:48 AM, geyan <geyan.big.ac.cn> wrote:

> Hi,
> I have met a strange phenomenon.The structure I have minimized with Amber
> looks somewhy worse than origin
> which can be seen clearly from the Procheck,a software that is used to
> check the protein's 3D structure.The percentage of residues in most favoured
> regions decline notably.It seems a little unbelievable to me,what do you
> think?
> Any suggestions will be appreciated.
> 2010-03-29
>
>
>
> geyan
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Received on Mon Mar 29 2010 - 05:00:04 PDT
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