[gmx-users] g_gyrate output columns meaning
Dawid das
addiw7 at googlemail.com
Tue Aug 19 15:09:01 CEST 2014
Dear Gromacs experts,
How can I understand the relation between those four last columns:
@ s0 legend "Rg"
@ s1 legend "RgX"
@ s2 legend "RgY"
@ s3 legend "RgZ"
0 1.6378 1.2375 1.37115 1.39762
2 1.6433 1.25186 1.37786 1.39111
4 1.64588 1.25053 1.37212 1.40403
6 1.63929 1.25421 1.364 1.39319
8 1.64384 1.25509 1.36634 1.40081
RgX, RgY and RgZ are values of radius of gyration about X, Y and Z axes,
respectively. And what is Rg? Is it like a total or resultant radius of
gyration? I read this explanation:
http://manual.gromacs.org/current/programs/gmx-gyrate.html but I'm still
not sure how to understand it.
Thank you,
Dawid
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