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From: | emamyari |
Subject: | [ESPResSo-users] constraint violated by a particle |
Date: | Wed, 16 May 2012 13:49:42 +0430 |
User-agent: | SquirrelMail/1.4.21 |
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
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