AMBER Archive (2009)

Subject: [AMBER] Re: query

From: bharat lakhani (lakhbharat_at_gmail.com)
Date: Sat Aug 01 2009 - 07:07:24 CDT

I want to know that what is the exact logic behind restrainedmask
syntax can i get some useful tutorial on this so that i can use it in
more logical way.
thanks
Bharat

On Fri, Jul 31, 2009 at 1:12 PM, bharat lakhani<lakhbharat_at_gmail.com> wrote:
> Sir / Madam,
>
> During minimization if i want to fix the secondary structure part
> (alpha helix) and move rest of the part is it possible to do it ?
> I mean a type of constrained minimization where internal
> parameters(bond angle,bond length,backbone torsion angle) of helix is
> fixed its behaving as one big molecule. So it is moving as one
> molecule from one place to another without disturbing the helix
> structure.
>
> Can you please tell me the process to carry these things.
>
> Thanks
> Bharat
>

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