[AMBER] Removing rotational motion

From: John S <s.john634.gmail.com>
Date: Tue, 26 Oct 2010 10:08:00 -0400

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
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