Dear Amber Users,
I have activated nscm flag in my simulations for removal of translational
and rotational motion.
Now when i visualize my MD simulation , it appears the entire structure is
rotating .
I need to calculate the diffusion coefficient of selected residues (which
have no bonding with other residues ), How can I post process my trajectory
to remove this rotation before I calculate diffusion coefficient .
Thanks
John
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Received on Tue Oct 26 2010 - 07:30:03 PDT
