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From: | Wink, Markus |
Subject: | Re: [ESPResSo-users] Periodic boundary condition |
Date: | Tue, 21 Oct 2014 07:08:34 +0000 |
Hello Olaf, thank you for the fast reply. I didn’t check the FAQs before. My bad, sorry! Greetings Markus Von: address@hidden [mailto:address@hidden
Im Auftrag von Olaf Lenz Have a look at the FAQ: http://espressomd.org/wiki/FAQ#Some_coordinates_are_outside_of_the_box.21 Olaf 2014-10-21 8:19 GMT+02:00 Wink, Markus <address@hidden>: Hello everybody, I wanted to understand the behavior of the „setmd periodic 111” command. For that I set up a box of dimension 20x20x20 and put a particle with a constant velocity in +x direction.
I would expect, that when the particle reaches the position x=20 (end of the box), that it leaves the simulation box and enters it again at position x=0 (At least that is what I understand of a periodic box).
If I have a look on the trajectory, I don’t see that behavior. Instead the particle keeps on propagating
and the x-position increases. In the user guide I could not find any description of what the “setmd periodic 1 1 1 “ command actually
does. The *.tcl script as well as the trajectory data are being attached. Does anybody can give me a clue or explain to me whether I did a mistake on my setup? Greetings Markus
-- Dr. rer. nat. Olaf Lenz Institut für Computerphysik, Allmandring 3, D-70569 Stuttgart Phone: +49-711-685-63607 |
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