Re: [ESPResSo-users] track a particle in each time step

[Axel Arnold]

On 03/16/2014 09:59 AM, Narges Nikoofard wrote:
> Dear Espresso users,
>
> I am simulating a confined polymer. I should count the number of times
> the end monomers enter a pre-defined region in the space. So, I need
> to track the end monomers' position. I need to know the end monomers'
> position in each time step of the simulation.
>
> As a result, I have used "integrate 1" in my code. So, I can get the
> monomers position in each time step and check if they are in the
> specified region. This makes the code very slow. Is there any way to
> solve this problem?

You can use the "observable" command for tracking the position. For
doing more complex operations on-the-fly, it also should be fairly easy
to implement a new observable for your needs in C.

Axel


-- 
JP Dr. Axel Arnold
ICP, Universität Stuttgart
Allmandring 3
70569 Stuttgart, Germany
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Tel: +49 711 685 67609