[gmx-users] j3 coupling

[David van der Spoel]

On Fri, 21 Jun 2002, Yuguang Mu wrote:

>Dear colleges,
>Do you know some discusses about the degree of accuracy of the Karplus 
>relation of J3 coupling  for H-N-Ca-Ha ?
>How much can we rely on it ?
There are some tests out in the literature. As long as you have regulary
secondary structure it is probablye quite decent. I have done some
comparisons in a paper (Conformations of Gly-X-GLy peptides and
comparison with NMR experiments), you can download it from my homepage
below. Please look at the references in the paper especially.

Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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