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[ESPResSo] Coulomb interactions 1D 3D


From: Ivo Kabadshow
Subject: [ESPResSo] Coulomb interactions 1D 3D
Date: Mon, 14 Jan 2008 20:56:04 +0100
User-agent: Thunderbird 1.5.0.12 (X11/20070530)

Dear all,

 I have questions concerning the sample input data mmm1d_system.data.

1.)
What is the effect of the "box_l" parameter on the particle coordinates?

I would assume that all particles have to be enclosed in the simulation-box (box_l box_l box_l). But the file holds particles with coordinates larger than l_box.

2.)
What is the purpose of the first two particles with charge 0.0?

3.)
What is the influence of the p3m parameter "cao"? I couldn't find any information.

Many thanks in advance

 Ivo Kabadshow


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