AMBER Archive (2007)

Subject: RE: AMBER: Algorithm for integration of equations of motion

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Wed Jun 20 2007 - 14:38:36 CDT

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_at_scripps.edu [mailto:owner-amber_at_scripps.edu] On Behalf Of
Roberto Veiga
Sent: Wednesday, June 20, 2007 11:56
To: amber_at_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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