Re: [ESPResSo-users] Object in Fluid

[Wink, Markus]

Dear all,

attached you will find pictures of the starting configuration and the 
configuration, when the simulation stops with the error message (actually 
Espresso is not cancelled, but no further integration step will be performed).

Looking forward to your answers. 

Greetings

Markus

-----Ursprüngliche Nachricht-----
Von: Andrew Jewett [mailto:address@hidden 
Gesendet: Dienstag, 15. Juli 2014 17:59
An: Wink, Markus
Cc: address@hidden
Betreff: Re: [ESPResSo-users] Object in Fluid

Pictures can be helpful.
What does the system look like (at nearby times)?
Cheers

Andrew

On Tue, Jul 15, 2014 at 11:31 AM, Wink, Markus <address@hidden> wrote:
> Dear all,
>
>
>
> I tried to simulate the movement of a particle past an obstacle inside 
> a microfluidic channel using the oif method. At the moment I am facing 
> the problem, that, when the particle gets near the object, the 
> simulation stops and prints out the error message:
>
>
>
> “broken: particles sum 2, id 0, partn 2, bond 2346”
>
>
>
> I am not exactly sure, what that error message means. I guess, that 
> the bond of the object tears apart, so I could change the parameters of the 
> bond.
> Does anyone have a clue? For the potential between the particle and 
> the obstacle, I have chosen a soft sphere potential.
>
>
>
> The files are attached.
>
> Thanks a lot for your help.
>
>
>
> Greetings
>
>
>
> Markus

end_conf1.png
Description: end_conf1.png

end_conf2.png
Description: end_conf2.png

starting_conf1.png
Description: starting_conf1.png

starting_conf2.png
Description: starting_conf2.png