Dear gmx-users,
I am working with a system composed by
20 molecules which are aggregated in water. I want to calculate the
dimensions of this aggregate, but it has an elipsoidal shape, instead
of a globular shape, as follows in this representation:
|
_____|______
-----( ____________)------X
|
|
Y
Which gromacs tool could I use to
perform this analysis and calculate X and Y (nm) as a function of
time?
I tried using g_gyrate and observing
the Rx, Ry and Rz components, but I couldn't get it right.
Thanks in advance,
Conrado Pedebos.
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