Re: [AMBER] reference re. determining size of timestep

From: Gustavo Seabra <>
Date: Fri, 17 Jul 2009 17:53:46 +0100

On Thu, Jul 9, 2009 at 2:07 PM, Paul Brandt<> wrote:
> Hello,>
> I am looking for a reference in which the rationale for the size of the time
> step used for integration of the equations of motion in a simulation is
> outlined.  Anyone know of a good one?
> Thanks!

I don't have the book on me now, but I believe you can find some
comments on Allen & Tildesley's book "Computer Simulation of Liquids".
I believe any MD simulation book should have that.


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Received on Fri Jul 17 2009 - 10:11:17 PDT
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