[AMBER] Centre of Mass or geometry issue

From: Soumendranath Bhakat <bhakatsoumendranath.gmail.com>
Date: Tue, 9 Jun 2015 10:33:49 +0200

Dear Amberists,

I have three residues R1, R2 and R3. I wish to calculate the centre of mass
between R1 and R2 and then calculate distance of R3 from the centre of

Can anyone suggest how to do this operation with CPPTRAJ?

Thanks in advance,


Thanks & Regards;
Soumendranath Bhakat
Research Assistant, Division of Biophysical Chemistry, CMPS, Lund
University, Sweden
Homepgae: https://cbiores.wordpress.com/
ResearchGate: https://www.researchgate.net/profile/Soumendranath_Bhakat2
Google Scholar: http://scholar.google.com/citations?user=Q1_nDMcAAAAJ&hl=en
Past: Molecular Modelling and Drug Design Research Group
Discipline of Pharmaceutical Sciences
UKZN, Westville
Weblink: http://soliman.ukzn.ac.za/Home.aspx
and Department of Pharmaceutical Sciences
Birla Institute of Technology, Mesra, India
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Received on Tue Jun 09 2015 - 02:00:03 PDT
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