AMBER Archive (2009)

Subject: [AMBER] non standard residue

From: Neha Gandhi (
Date: Mon Jul 06 2009 - 03:07:35 CDT

Hi List,

I have a protein structure (protein.pdb) and it has a residue called ACA in
chain C. I have prepared lib file (ACA.lib). Then I describe head and tail
group of this non standard residue. I saved the file as ACA.lib. I m yet to
calculate the charges.

I try to load the whole protein after loading the lib file. The N-terminal
of ACA residue connects well with the previous residue but the C-terminal of
this residue misses out the connectivity with the N atom of the proceeding
residue which is MET.

Your help is appreciated.

Neha Gandhi,
School of Biomedical Sciences,
Curtin University of Technology,
GPO Box U1987 Perth,
Western Australia 6845

  • chemical/x-pdb attachment: ACA.pdb

  • application/octet-stream attachment: ACA.lib.x

AMBER mailing list