[gmx-users] g_hbond does not work with -hbn option

David spoel at xray.bmc.uu.se
Mon May 3 21:32:00 CEST 2004


On Mon, 2004-05-03 at 20:55, Hanning chen wrote:
> Hi, alll
>   I just tried to use g_hbond for hydrogen bonding analysis. The g_hbond 
> with option -hbn did write out all selected groups, donors, hydrogens and 
> acceptors for selected groups,  but WITHOUT hydrogen bonded atoms from all 
> groups.
i don't understand the problem.

what should it do, and what does it do instead?

>   Any help is highly appreciated.
> 
> Hanning
> 
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-- 
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://xray.bmc.uu.se/~spoel
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