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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. 


Medina Hernando, Stefan
PhD candidate | University of Mainz
Staudingerweg 9, 55128 Mainz, Germany
+49 6131-39-20497

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

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