Abil Aliev wrote:
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
check the source code too.
----------------------------------------
Date: Mon, 14 Jul 2008 07:20:53 -0400
From: [EMAIL PROTECTED]
To: gmx-users@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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Virginia Tech
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