[gmx-users] g_polystat: eigenvectors of the gyration tensor

gtesei giu.tesei at gmail.com
Sun Sep 8 19:25:34 CEST 2013


Dear all,

Using g_polystat with option -v, I obtain the output file polyvec.xvg which
contains 10 columns. 

Are columns 2-10 the components of the gyration tensor calculated according
to this  definition <http://en.wikipedia.org/wiki/Gyration_tensor>  ?

If this is correct, are the components reported in the following sequence:
s_xx, s_xy, s_xz, s_yx, s_yy, s_yz, szx, s_zy, s_zz?

Thank you!



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