AMBER Archive (2005)

Subject: Re: AMBER: Neutral C-terminal residue

From: Carlos Simmerling (carlos_at_ilion.bio.sunysb.edu)
Date: Wed Oct 19 2005 - 06:40:10 CDT

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
>
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu