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[ESPResSo] DPD thermostat problem

From: Nazar Ileri
Subject: [ESPResSo] DPD thermostat problem
Date: Mon, 22 Mar 2010 07:18:30 -0700

Hello all,

I have been using two different versions of ESPResSo (2.1.0 and 2.1.2j) lately.  Somehow I ran a script using both versions and got different energy/configuration profiles.

To test a simpler case I ran lj_liquid.tcl with both versions. When the thermostat is set to langevin, I get same results from both runs. However, when I replace the langevin thermostat with dpd

"thermostat dpd 1.0 1.0 1.12246"

results seem to vary. I did the Galilei transform to stop the center of mass motion and just checked the release notes but didn't see any reported bugs on this.

Any comments/suggestions on the problem?

Thank you!

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