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Re: [ESPResSo-users] Plane cell constraints
From: |
Medina Hernando, Stefan |
Subject: |
Re: [ESPResSo-users] Plane cell constraints |
Date: |
Mon, 3 Jun 2013 19:05:48 +0000 |
Dear Robyn,
do you have any repulsive interaction activated between the plane cell and the
particles? If so (e.g. if you have the purely repulsive Lennard-Jones [WCA]),
then you should take care that the particles have an appropriate distance (1
sigma) from the plane cells in the beginning of the simulation.
Cheers,
Stefan
______________________________________
Medina Hernando, Stefan
PhD candidate | University of Mainz
Staudingerweg 9, 55128 Mainz, Germany
+49 6131-39-20497
address@hidden
________________________________________
Von: address@hidden address@hidden" im Auftrag von "Robyn Latimer
(x2011ryq) address@hidden
Gesendet: Montag, 3. Juni 2013 16:58
An: address@hidden
Betreff: [ESPResSo-users] Plane cell constraints
Hi everyone,
I'm trying to set up a system with tunable-slip boundary interactions. In the
user guide it says that two plane cell constraints are required to implement
this interaction. Before I start using the tunable-slip boundary interactions I
was trying to get the system to work with just the plane cell constraints. The
system runs perfectly fine without the plane cell constraints, however when I
add them in I get the error " background_errors 0 {999 force on particle was
NAN.}" many times as soon as integration starts. Does anyone have any idea why
this is happening and a possible solution to the problem?
Thanks very much