[gmx-users] S2 parameter

[David]

On Sat, 2002-07-13 at 10:32, Dmitry Kovalsky wrote:
> Hi there,
> 
> Usually, as I know, in NMR studies the angle  of N-H bond precession is used 
> to calculate S2 order parameter.
> In contrast,  g_chi program uses Phi, Psi and Omega angles to calculate it. 
> How can one  compare order parameters from these two data?
One can not. You will have to program it yourself I'm afraid.
> Sincerely yours,
> 
> Dima
> 
> Ph.D. Student Dmitry Kovalsky
> Institute of Molecular Biology & Genetics
> 150 Akad. Zabolotnogo Street,
> Kiev-143, 03143
> UKRAINE
> 
> E-mail: dikov at imbg.org.ua
> Fax:  +380 (44) 266-0759
> Tel.: +380 (44) 266-5589
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-- 
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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