[AMBER] renumber all residues in prmtop

From: Thomas Evangelidis <tevang3.gmail.com>
Date: Thu, 24 Jul 2014 02:33:01 +0300

Hi,

Is there any way to renumber all protein residues in the prmtop (using an
offset), or to preserve the residue numbering of the original pdb in tleap?

I tried exporting a pdb file with ambpdb -offset 21 to renumber the protein
residues, and then loaded the pdb file into parmed using addPDB command.
However, the residue numbers of the protein did not change. The manual
states that a new section named RESIDUE_NUMBER is added in the topology
file. Its use is still unclear to me.

thanks,
Thomas

-- 
======================================================================
Thomas Evangelidis
PhD student
University of Athens
Faculty of Pharmacy
Department of Pharmaceutical Chemistry
Panepistimioupoli-Zografou
157 71 Athens
GREECE
email: tevang.pharm.uoa.gr
          tevang3.gmail.com
website: https://sites.google.com/site/thomasevangelidishomepage/
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Received on Wed Jul 23 2014 - 17:00:03 PDT