|
From: | emamyari |
Subject: | [ESPResSo-devel] costraint |
Date: | Thu, 17 May 2012 16:16:17 +0430 |
User-agent: | SquirrelMail/1.4.21 |
Hi,
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,
[Prev in Thread] | Current Thread | [Next in Thread] |