[gmx-users] g_gyrate output columns meaning

[Justin Lemkul]

On 8/19/14, 9:08 AM, Dawid das wrote:
> 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:

It's the actual radius of gyration.

-Justin

-- 
==================================================

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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