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 _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
