[AMBER] Dihedral of quadruple of centres of mass

From: Massimiliano Porrini <M.Porrini.ed.ac.uk>
Date: Thu, 25 Aug 2011 15:34:33 +0100

Dear all,

I would need to work out the time series of the dihedral angle
of a quadruple of centres of mass of groups of atoms
(rather than of single atoms).

I had a look at the AmberTools manual (and at the mailing list
archives) and as far as I understood
the Mask of groups of atoms works only for the "distance" command.

Any hint would be really appreciated.

Cheers,
MP

-- 
Dr Massimiliano Porrini
Institute for Condensed Matter and Complex Systems
School of Physics & Astronomy
The University of Edinburgh
James Clerk Maxwell Building
The King's Buildings
Mayfield Road
Edinburgh EH9 3JZ
Tel +44-(0)131-650-5229
E-mails : M.Porrini.ed.ac.uk
             mozz76.gmail.com
             maxp.iesl.forth.gr
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Received on Thu Aug 25 2011 - 08:30:04 PDT