[gmx-users] g_hbond question

[Daniela S. Mueller]

hi jonathan, 

the actually occuring hydrogen bonds are listed in the log-file. 

daniela


On Tue, 2006-03-21 at 14:56 -0800, Moore, Jonathan (J) wrote:
> I created a hydrogen bond map using g_hbond of version 3.3.  The manual indicates that for the hbmap the "Ordering is identical to that in -hbn index file."  However, in my case, the hbmap file contains 13 hydrogen bond indices, but the hbond.ndx file lists 20 sets of donors and acceptors.  Why the mismatch?  How do I know which hydrogen bonds are represented in the map?
> 
> Thanks,
> Jonathan
> 
> ____________________________
> Jonathan Moore, Ph.D.
> Research and Engineering Sciences - New Products
> Core R&D
> The Dow Chemical Company
> 1702 Building, Office 4E
> Midland, MI 48674  USA
> Phone:  (989) 636-9765 
> Fax: (989) 636-4019
> E Mail: jmoore2 at dow.com

-- 

Daniela S. Mueller

biologist (Diplom, German degree)
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