[AMBER] Formula/reference for ambertools native contact calculations

From: Julio Dominguez <acheron24.hotmail.com>
Date: Mon, 12 Jun 2017 16:27:54 +0000

Good day everyone,


I was looking for the precise way that native contacts are calculated, I looked in the manual as well as the mailing list but nothing.

I found two references:


Best, Robbert B., et al. "Native contacts determine protein folding mechanisms in atomistic simulations." (2013)


C. Hardin et al. "Backbone dynamics, fast folding, and secondary structure formation in helical proteins and peptides." (1999)


The formulas are different I am not sure which one, if at all, are used in ambertools.


Best regards.
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Received on Mon Jun 12 2017 - 09:30:02 PDT
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