AMBER Archive (2005)

Subject: RE: AMBER: capping?

From: FyD (fyd_at_u-picardie.fr)
Date: Wed Mar 09 2005 - 10:51:32 CST

> I am doing simulations of short peptides which required to be
> acetylated and amidated at N and C termini.
> Is there any one here can give me some suggestions how to
> perform capping in Amber? I would like to cap the peptides with Ace
> and Nme. I am a new amber user. Any suggestion is appreciated. Thanks.

Please read http://www.u-picardie.fr/labo/lbpd/RED/FAQ-I.htm
See also http://www.u-picardie.fr/labo/lbpd/RED/
Use Google @ http://amber.scripps.edu/ selecting 'mailing list archives' using
"RESP charge derivation"

This has been numerous times discussed.

  F.-Y. Dupradeau
DMAG EA 3901 & Faculte de Pharmacie, Amiens, France
The Scripps Research Institute, La Jolla, CA, USA
       --
http://www.u-picardie.fr/labo/lbpd/FyD.htm
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