[gmx-users] g_chi

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


Hi,
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


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110404/6296fb62/attachment.html>


More information about the gromacs.org_gmx-users mailing list