[gmx-users] Meaning of n-n hydrogen bond
David van der Spoel
spoel at xray.bmc.uu.se
Wed Apr 25 20:28:13 CEST 2007
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,
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it can happen depending on backbone conformation.
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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