[gmx-users] g-hbond -sel problem

Henrik Rundgren henrik at physc.su.se
Fri Jun 3 14:31:07 CEST 2005

I have tried to use the -sel command. Both using the beta and the 3.2.1 

The problem that I get is that when using -sel and an index file 
(originating from the command -hbn), I get NO hbonds at all.
But when using the -n command instead I get hbonds.

So, is there still a bug?
To check, I understand that when using -sel I would get a outfile where 
I can see each individual hbond by itself (one coloumn per group in the 
index file in the outfile?) and not as a group. Or would I still need o 
run the program on each individual? 
If the later, then it works with -n command, and it's just to rerun it 
the needed times. and that we can script ofcourse...


Henrik Rundgren
Division of Physical Chemistry
Arrhenius Laboratory
Stockholm University
S-106 91 Stockholm

E-mail:    Henrik at physc.su.se
Telephone: +46-(0)8-16 12 63
Fax:       +46-(0)8-15 21 87
Website:   www.fos.su.se/~henrik

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