[gmx-users] Radius of gyration and moment of inertia

[Dallas Warren]

https://mailman-1.sys.kth.se/pipermail/gromacs.org_gmx-users/2019-January/123938.html

Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.warren at monash.edu
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble a
nail.


On Sat, 26 Jan 2019 at 05:11, Aishwarya Dhar <dhar.aishwarya at gmail.com>
wrote:

> Hi,
> I am trying to find the moment of inertia of an aggregate.
> I have used the command gmx gyrate -f  test.gro -s test.gro -p yes -mol
> yes  -o out.xvg
>
> For two aggregates the the shape is similar but the values are
> very different for Ix Iy Iz
>
> For an aggregate 1
> Ix                 Iy              Iz
> 81538.8      243689      251837
>
> For aggregate 2
> Ix                   Iy                 Iz
> 144172      498275      517148
> Could you please help me as what could the possible solution?
>
>
>
> Thanks in advance
> --
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