[gmx-users] X and Y dimensions in nanometers
conradopedebos at yahoo.com.br
Thu Sep 8 20:12:39 CEST 2011
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:
Which gromacs tool could I use to
perform this analysis and calculate X and Y (nm) as a function of
I tried using g_gyrate and observing
the Rx, Ry and Rz components, but I couldn't get it right.
Thanks in advance,
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