[AMBER] Distance calculation between atoms from two different frames using CPPTRAJ

From: anu chandra <anu80125.gmail.com>
Date: Thu, 4 Jan 2018 17:11:56 +0530

Hello Amber usrs,

I am trying to calculate distance between two atoms, atomX(f1) and
atomX(f2-fn). Here 'atomX(f1)' is the atom X from the first frame of the
trajectory and 'atomX(f2-fn)' is the same atom X, but from the second frame
to the nth frame. Now I would like to calculate distance between atomX(f1)
and atomX(f2-fn) along the simulation trajectory. I wonder whether such
calculation possible with CPPTRAJ. I am aware of 'distance' module in
CPPTRAJ which calculate the distance between atoms within each frame. Any
suggestions would be highly appreciated

Many thanks in advance

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Received on Thu Jan 04 2018 - 04:00:03 PST
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