Re: [AMBER] GL4 at C-terminal

From: FyD <fyd.q4md-forcefieldtools.org>
Date: Sun, 05 Feb 2012 20:26:58 +0100

Dear Ikuo Kurisaki,

_If_ you need new terminal residues, see:
http://q4md-forcefieldtools.org/Tutorial/Tutorial-3.php#16
http://q4md-forcefieldtools.org/Tutorial/Tutorial-3.php#17
  and
http://q4md-forcefieldtools.org/Tutorial/Tutorial-3.php#24
  vs
http://q4md-forcefieldtools.org/Tutorial/Tutorial-3.php#25

regards, Francois


> I would like to ask a question about the setting of constant pH MD.
>
> In preparing topology files, I found that constph.lib does not contain
>
> N- and C-terminal positioned Residue type for GL4 and AS4 as is usual
> residues.
>
> Is there some prepfiles anywhere, or we need to built it?
>
> My interested protein has Glutamate in the C-terminal, unfortunately.
>
> Thank you for usual support and advices,
>
> Yours sincerely,
> Ikuo Kurisaki
>



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Received on Sun Feb 05 2012 - 11:30:03 PST
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