RE: AMBER: Algorithm for integration of equations of motion

From: Ross Walker <ross.rosswalker.co.uk>
Date: Wed, 20 Jun 2007 12:38:36 -0700

Hi Roberto,
 
Amber uses the Leap Frog algorithm for integration. See Leach "Molecular
Modelling: Principles and Applications" or other similar text books.
 
Ross

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From: owner-amber.scripps.edu [mailto:owner-amber.scripps.edu] On Behalf Of
Roberto Veiga
Sent: Wednesday, June 20, 2007 11:56
To: amber.scripps.edu
Subject: AMBER: Algorithm for integration of equations of motion


Hi all:

I need an information to put in my thesis (I used Amber to carry out the
calculations): which is the algorithm used to integrate the equations of
motion?

Regards,

Roberto





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Received on Sun Jun 24 2007 - 06:07:14 PDT
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