Re: [AMBER] Parameters for HYP and CGU

From: FyD <>
Date: Thu, 17 Dec 2009 09:46:55 +0100

Dear Rilei Yu,

> I have a peptide that contains HYP and CGU residues. And I cannot
> use leap to save them. Do any one know is there any force field in
> amber that can do this? Now, I used ff03 and gaff, but i failed do
> that.

You could use the R.E.D. tools to generate required fragments
(central, N-terminal and/or C-terminal) for your unusual amino-acid(s).


See the tutorial about R.E.D.-III.3
See the tutorial about R.E.D. Server/R.E.D.-IV

& an example in R.E.DD.B. (among many others)
about beta-carboxylato-L-aspartate from A. Ziemys

regards, Francois

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Received on Thu Dec 17 2009 - 01:00:02 PST
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