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[ESPResSo] Pressure calculations

From: Kai Grass
Subject: [ESPResSo] Pressure calculations
Date: Fri, 3 Apr 2009 11:37:01 +0200

Hi to everyone,

I am about to start to work on hydrogels (sort of continuing Berward's work) and one of the key aspects of the study is the calculation of the pressure of the system. As I never cared about how to calculate the pressure, I am wondering now, if all I have to do is to use 'analyze pressure' and its variants or if there are any catches that I should be aware of?

The system contains a network of interconnected polyelelctrolytes and counterions. Interactions are LJ, FENE and electrostatics.

Thanks for your input,

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