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

[Dallas Warren]

Solution to what exactly?

Both sets have a ~1:3:3 ratio, I'd guess you have two prolate spheroids?
and it indicates that yes, they have a similar shape as you stated.

Or is the concern the fact that there is ~4x difference between agg1 and
agg2 I values?  That indicates that agg1 is bigger than agg2.

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 Wed, 23 Jan 2019 at 21:37, 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
> Aishwarya
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>