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[ESPResSo-users] suitable thermostat with coarse-grained water

From: Narges Nikoofard
Subject: [ESPResSo-users] suitable thermostat with coarse-grained water
Date: Tue, 26 May 2015 10:31:28 +0430

Dear all,

I am simulating self-assembly of a system of amphiphilic polymers. The water is considered explicitly with coarse-grained beads. What is the suitable thermostat for this system?

With implicit water, I used langevin thermostat with gamma=1. However, in the presence of water, the polymer beads are slowed down both with the friction from thermostat and the coarse-grained water molecules. So, is it correct to still use the same thermostat, but with a very small value for gamma?

Thanks in advance for any help.

Many regards,
Narges Nikoofard

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