[gmx-users] g_chi

Justin A. Lemkul jalemkul at vt.edu
Tue Apr 5 01:07:33 CEST 2011

simon sham wrote:
> 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.

g_chi is intended for dihedral transitions and order parameters.  If you just 
want an actual dihedral angle measurement, use g_angle.


> Again thanks for your help in advance.
> Simon Sham


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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