Re: AMBER: Neutral C-terminal residue

From: Carlos Simmerling <>
Date: Wed, 19 Oct 2005 07:40:10 -0400

you should do the same as what the experiment did- how was
the terminus made neutral? Probably a blocking group. often
the C-terminal is amidated, if that's the case then add NHE to the
end of your sequence.

Sébastien Fiorucci wrote:

> Hi amber list,
> I need to perform a simulation with a neutral isoleucine c-terminal
> residue. Only COO- parameters are avalaible in the Amber Force Field.
> Does anyone know where can I found parameters for neutral C-terminal
> residue?
> Thanks
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Received on Wed Oct 19 2005 - 12:53:00 PDT
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