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Re: [ESPResSo-users] DPD

From: Christoph Junghans
Subject: Re: [ESPResSo-users] DPD
Date: Wed, 10 Sep 2014 11:09:27 -0600

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?

> I'd guess for the global dpd thermostat it won't be necessary and only
> force constants are defined.
ESPResSo distinguishes between DPD thermostat and DPD interaction (the
conservative part).
The DPD thermostat is always local as it couples to pairs of particles.
The DPD interaction needs to be enabled separately using hat
interaction ("inter hat").

> However, I'm wondering about the inter_dpd?
ESPResSo has two implementations of the DPD thermostat.
1.) standard DPD thermostat ("thermostat dpd") with one friction
constant for the whole system.
2.) interaction-based DPD thermostat ("thermostat inter_dpd") where
the friction constants can be set on a per-pair basis using the
inter_dpd interaction ("inter inter_dpd").


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

Christoph Junghans

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