[gmx-users] g_hbond question

[Moore, Jonathan (J)]

Daniela,

Thanks for that tip.  It looks like that won't help me, though, because I
can't get it to write out the log file.

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


-----Original Message-----
From: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org]
On Behalf Of Daniela S. Mueller
Sent: Wednesday, March 22, 2006 12:23 AM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] g_hbond question


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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