[gmx-users] g_chi

simon sham ssham44 at yahoo.com
Tue Apr 5 00:35:14 CEST 2011

Thanks for those who replied my previous questions on g_chi.
I just installed the latest version of gromacs 4.5.4 and could run the command. I still have 
a question about the command:
Again, I used the following command:
"g_chi -s md.tpr -f md.xtc -omega"
It generated a series of xmgrace files for each residue, but it does not give a residue #.

In the chi.log file, it only listed the four omega atom numbers for each residue...that's it.

Again thanks for your help in advance.

Simon Sham

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