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Re: [ESPResSo] DPD/Langevin-Thermostat conflict?

From: Burkhard Duenweg
Subject: Re: [ESPResSo] DPD/Langevin-Thermostat conflict?
Date: Tue, 09 Mar 2010 11:32:49 +0100
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I am not familiar with the ins and outs of the
program. However, what you should make sure is
that after the turning-off of the Langevin
thermostat you do a Galilei transform into the
center of mass reference frame of the overall
system. Note that the Langevin thermostat does move
the center of mass of the system around, while
the DPD thermostat does not. Could it be that
your weird results come from that?

Best regards

| Burkhard Duenweg             e-mail: address@hidden   |
| Max-Planck-Institut          Phone:      +49-6131-379-198        |
|   fuer Polymerforschung      Fax:        +49-6131-379-340        |
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| Germany                                                          |

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