[AMBER] Center of mass, velocity, Momentum calculation

From: Dulal Mondal via AMBER <amber.ambermd.org>
Date: Sun, 15 Jan 2023 18:31:08 +0530

Dear Users,

I have a trajectory file (nc file) which contains only position information
but no velocity information.
My questions are
1) How can I calculate the center of mass (COM) of a particular residue
(HIS-64)?
2) How can I calculate momentum?

I am trying to draw a phase space. X-axis represents COM and Y-axis
represents momentum.

Thanking you 




-- 
*With regards,*
*Dulal Mondal,*
*Research Scholar,*
*Department of Chemistry,*
*IIT Kharagpur, Kharagpur 721302.*
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Received on Sun Jan 15 2023 - 05:30:02 PST
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