Re: [AMBER] uneven bond formed after cyclization of peptide

From: Andy Watkins <andy.watkins2.gmail.com>
Date: Thu, 20 Oct 2016 17:38:00 -0700

I'm not convinced that using the terminal variants is correct here, as it
adds atoms, unnecessarily, that aren't present in the final bonded
chemistry (e.g. the C-terminal oxygen and N-terminal hydrogens). There's
also a more abstract reasoning: after cyclization, I'd imagine that an
ideal system would be agnostic to the way the peptide system was set up
(i.e., since it no longer has a C-terminus, no residue should have a
'memory' of being C-terminal).

On Thu, Oct 20, 2016 at 4:32 PM, Thakur, Abhishek <axt651.miami.edu> wrote:

> Hi
>
> I am trying to cyclize my peptide by making bond between N Glu terminal
> and C SER terminal.
>
> But the bond formed seems to be quiet weird.
>
> Can anyone suggest me what should I do .
>
>
>
> Thanking you,
>
> Abhishek
>
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Received on Thu Oct 20 2016 - 18:00:03 PDT
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