[AMBER] cpptraj distance between centroid of a ring and an atom

From: Neha Gandhi <n.gandhiau.gmail.com>
Date: Thu, 23 Mar 2017 17:41:54 +1000

Dear List,

I am calculating the center/centroid of ring atoms using the vector command

vector v21 center :glc.O1,O2,O3,O4,O5,O6 out v21.dat

The output file consists of x y z and the origin coordinates.

How can I measure the distance command in cpptraj to measure distance from
centroid (v21.dat) to another atom of an amino acid? 

-- 
Regards,
Dr. Neha S. Gandhi,
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Received on Thu Mar 23 2017 - 01:00:02 PDT
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