[gmx-users] Shape of the aggregate

[Aishwarya Dhar]

Hi
I am trying to calculate the shape of an aggregate which is cylindrical in
shape.
I have used the command
gmx polystat -f aggregate.pdb -s aggregate.tpr -o poly.xvg

The eigen values  from gmx polystat  of the aggregate  for a particular
frame are  3.3566 0.8837 0.7660 but using VMD the distance between the
extreme ends of the rods are  114.1 29.5 27.8 in that particular frame
Could you tell me what am I missing?

Thank you

AIshwarya