AMBER Archive (2008)

Subject: AMBER: offset residue numbering

From: Brendan Duggan (
Date: Mon Jan 07 2008 - 14:14:30 CST

I have a fragment of a larger molecule that I'm doing some NMR structure
calculations on. I have been calling the first residue in my polymer,
residue 135. Sander and leap are calling it residue 1. Can I use leap
to introduce an offset in the residue numbering somehow? Converting
residue numbers back and forth for the violation analysis is a nuisance
and may introduce mistakes.


Brendan Duggan <>
Medical University of South Carolina

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