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

[Abil Aliev]

Justin, thanks for your response. I am merely trying to understand whether J_NHa refers to 15N,1H or N1H_Ca1H coupling. The same goes to other J namings used
 
----------------------------------------
> Date: Mon, 14 Jul 2008 07:20:53 -0400
> From: jalemkul at vt.edu
> To: gmx-users at gromacs.org
> Subject: Re: [gmx-users] definition of J-couplings in g_chi
> 
> 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:
> 
> http://en.wikipedia.org/wiki/Karplus_equation
> 
> The answers are out there, and if you don't know what a term or parameter means, 
> Google is usually your friend.
> 
> -Justin
> 
> 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
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
> 
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