[ESPResSo-users] constraint violated by a particle

[emamyari]

Hello everybody,

I am trying to simulate a system of several polymers by using Espresso package. I have two constraints in my system which I have constructed them by the following commands (with box_l=100):

 

1:    constraint wall normal 0 0 1 dist 5 type 5 penetrable 0 

2:    constraint wall normal 0 0 -1 dist -80 type 6 penetrable 0

 

I know that all of the polymers are in Z>5 and Z<80 at the beginning of the simulation. When I start the simulation, all polymers aggregate on the first (type=5) constraint (Lj-Epsilon of that is 3) after about 5000 time steps.

The simulation stops with a background error (below) after about 10000-20000 time steps.

 

Background error :{061: wall constraint 0 violated by particle …}

 

I have performed this simulation many times with different parameters, but I have not got any good result. I must consider a special point (about constraints) in my simulation?

I would be thankful if you guide me.

 

Best Wishes,

Soheila      

-- 
This message has been scanned for viruses and
dangerous content by
MailScanner, and is
believed to be clean.