[gmx-users] principal moments of ellipsoid

[ahmet yıldırım]

Hi,

BioVEC is a tool for visualizing molecular dynamics simulation data while
allowing coarse-grained residues to berendered as ellipsoids.
http://www.phas.ubc.ca/~steve/BioVEC/BioVECindex.html

2011/5/10 Mark Abraham <Mark.Abraham at anu.edu.au>

>  On 10/05/2011 8:23 PM, lammps lammps wrote:
>
>> Hi,
>> I want to study the shape change of a macromolecule which seems like a
>> ellipsoid.  So, I need obtain the three principal moments of the molecules.
>> Is the command of g_gyrate helpful for me? The sum of the three principal
>> moments should be equal to the <Rg^2>.  However, I used the command g_gyrate
>> -f traj.gro -s nvt.tpr -n anly.ndx -o shape.xvg -p obtain the Rg and other
>> three qualities.
>> It seems that the sum of the last three qualities is not equal to the
>> Rg^2. Is there something wrong?
>>
>
> Why should that sum equal Rg^2?
>
> Mark
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> Please don't post (un)subscribe requests to the list. Use the www interface
> or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>



-- 
Ahmet YILDIRIM
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110510/910b7539/attachment.html>