[gmx-users] -sel option / g_hbond
OZGE ENGIN
OZENGIN at KU.EDU.TR
Tue Dec 26 10:23:07 CET 2006
Hi,
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:
-sel
(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
Özge
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