Re: [ESPResSo-users] DPD

[Dudo]

On Wed, Sep 10, 2014 at 7:09 PM, Christoph Junghans <address@hidden> wrote:

2014-09-10 9:08 GMT-06:00 Dudo <address@hidden>:
> Please,
>
> should I generate additional particles for using the DPD thermostat?
I don't really understand why you would do that. Can you give some
details about the problem you are studying?

Hi Chris,

well, what I would like to do is to drag a polymer molecule through media,

with a constant velocity with respect to the media as possible.

Hence, even if I fill the periodic box with a huge number of "solvent" bodies it would start moving as one phase after some time.

So this is not the way.

What I would like to see coming from my simulation, is at first the molecule orienting with its lowest energy/lowest friction or hydrodynamic radius profile with respect to the direction of the movement through the media, with the molecule started re-shaping after a while..

Dusan

 

Cheers,

Christoph

>
> is there an example for the input file?
>
> Dusan
>
> --
> ____________________
> Ing. Dusan Racko, PhD
> https://www.researchgate.net/profile/Dusan_Racko
> Polymer Institute of the Slovak Academy of Sciences
> Dubravska cesta 3
> 845 41 Bratislava, Slovak Republic
> tel: +421 2 3229 4321

--
Christoph Junghans
Web: http://www.compphys.de

--

____________________
Ing. Dusan Racko, PhD

https://www.researchgate.net/profile/Dusan_Racko
Polymer Institute of the Slovak Academy of Sciences
Dubravska cesta 3
845 41 Bratislava, Slovak Republic
tel: +421 2 3229 4321