[gmx-users] definition of J-couplings in g_chi

Justin A. Lemkul jalemkul at vt.edu
Mon Jul 14 13:20:53 CEST 2008

The manual will not spell everything out for you, but a little bit of background 
reading will give you the answer.  From g_chi -h:

(b) The NMR 3J coupling constants from the Karplus equation.

The curious individual would then probably look up what the Karplus equation is, 
and via Google search, arrive here:


The answers are out there, and if you don't know what a term or parameter means, 
Google is usually your friend.


Abil Aliev wrote:
> Hello,
> I couldnt find definitions of vicinal J-couplings used in g_chi from the online manual. These are the J-couplings listed by g_chi:
> J_NHa   J_HaC'   J_NHCb   J_Ci-1Hai    J_HaN   JHaHb2   JHaHb3
> Thank you,
> Abil
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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