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[ESPResSo-users] parameters about conservative force in DPD method

From: guozhicheng222
Subject: [ESPResSo-users] parameters about conservative force in DPD method
Date: Mon, 26 Nov 2012 20:54:36 +0800 (CST)

Dear all

       I don not understand the number of parameters in the DPD interaction used in ESPresSo simulation. The command form described as follow:

inter type1 type2 inter_dpd gamma r_cut [WF wf tgamma tr_cut TWF twf]

Obviously, there is just one parameter of gamma to depict the dissipative force and random effect derived from the fluctuation-dissipation relation (σ2=2γkBT, σ and γ denote the strength of noise and friction, respectively). However, the force acting on a particle has three parts, each of which is a sum of pair forces. The three contributions are a conservative force FijC, a dissipative force FijD and a random force FijR. Therefore, I want know how to describe the conservative term (FijC) in ESPresSo simulation. Moreover, what is the way of analyzing the chemical bond broken in ESPresSo based on DPD method. I am sincerely waiting for your response. Thanks!


Best wishes!


Zhicheng Guo

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