Subject: multiple time step MD

From: Bego Hernandez <[email-masked]>
Date: Mon, 15 Nov 1999 11:25:49 -0800

Dear CCL readers,

Can someone send me references of multiple time step Molecular Dynamics?

Thank you,  Bego

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From: Harald Svedung <[email-masked]>
Date: Mon, 15 Nov 1999 12:33:40 +0100 (MET)

Hi,
I usually use the Gauss-Radau variable time step integrator:

E. Everhart, in: A.Carusi, G. B. Valsecchi (Eds.) Dynamics of Comets: 
Their Origin and Evolution, Reidel, Dordrecht, 1985, p. 185.

For an evaluation of this method in the context of molecular dynamics se:

K. Bolton, S. Nordholm, J. Comp. Phys. 113 (1994) 320.

I can say, It does conserve energy!

:-)
/Harald

On Mon, 15 Nov 1999, Bego Hernandez wrote:

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Harald Svedung (Ph.Lic.)                phone:          +46-31-7722816
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