[AMBER] COM coordinates

From: Vishal Maingi <maingi.ambquery.gmail.com>
Date: Sat, 18 Aug 2012 04:27:38 +0530

Dear All,

Is it possible to know the coordinates of center of mass of masked residues
for each frame over a trajectory? I need the perpendicular distance, for
which I want to use Z coordinate only of COM, between two masked residues
COMs.

I was not able to find (or I missed it) such inbuilt functionality with
ptraj or cpptraj / may be source c files need to be played with to print
values?

thanks, 

-- 
*****
*regards;
Vishal Maingi*
*Dendrimer Builder Toolkit (DBT)*
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Received on Fri Aug 17 2012 - 16:00:04 PDT
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