[gmx-users] Meaning of n-n hydrogen bond

[David van der Spoel]

chetana baliga wrote:
> Dear gmx users,
> 
> Upon using g-hbond with the -hx option, to calculate hydrogen bonds in
> the mainchain, we are supposed to get a list of all n-n+1 hydrogen
> bonds, with i = 0 - 6. But, I am regularly getting several n-n
> hydrogen bonds. What is the meaning of a hydrogen bond of a residue
> with itself ! I am unable to understand, please help :)
> 
> Thanks in advance,
> 
> Chetana.
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it can happen depending on backbone conformation.

-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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