[gmx-users] -sel option / g_hbond

Erik Marklund erikm at xray.bmc.uu.se
Tue Dec 26 14:25:50 CET 2006

As g_hbond says:

"* The option -sel that used to work on selected hbonds is out of order, and
  therefore not available for the time being."


----- Original Message ----- 
To: <gmx-users at gromacs.org>
Sent: Tuesday, December 26, 2006 10:23 AM
Subject: [gmx-users] -sel option / g_hbond


First of all, thank you very much for your earlier explanations, they helped 
me much. Now,  I have a  problem with the -sel option of g_hbond. I want to 
analyze the specific hydrogen bonds in my system, in this respect I created 
a  file (.ndx), and then I called it with the -sel option. Then, I 
encountered  the  following error:

Invalid command line argument:

(I use the 3.3.1 version)

Should I take the atom numbers from the pdb file in order to represent the 
atoms in  .ndx file ?

Thank in advance


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