[gmx-users] measureing specific chi angles

David van der Spoel spoel at xray.bmc.uu.se
Wed Dec 3 14:33:01 CET 2003

On Wed, 2003-12-03 at 14:15, John Simms wrote:
> Hi All,
> I am a bit stuck, I have looked at the online manual & had a play with the analysis tools but I cant work out how to measure a specific chi angle over the course of a trajectory. I have tried the options in g_chi , g_dih and g_angle but i cant get theoutput I want. Can anyone help??
> Cheers

g_angle -ov -n -type dihedral

with the four atoms representing the torsion angle in your index file 
> John 
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David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel

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