[Top][All Lists]
[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]
[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
-------------------------------------------------------------------
-------------------------------------------------------------------
Forschungszentrum Jülich GmbH
52425 Jülich
Sitz der Gesellschaft: Jülich
Eingetragen im Handelsregister des Amtsgerichts Düren Nr. HR B 3498
Vorsitzende des Aufsichtsrats: MinDir'in Bärbel Brumme-Bothe
Geschäftsführung: Prof. Dr. Achim Bachem (Vorsitzender),
Dr. Ulrich Krafft (stellv. Vorsitzender), Dr. Sebastian M. Schmidt
-------------------------------------------------------------------
-------------------------------------------------------------------
- [ESPResSo] Coulomb interactions 1D 3D,
Ivo Kabadshow <=