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Re: [ESPResSo-users] For help

From: Axel Arnold
Subject: Re: [ESPResSo-users] For help
Date: Sun, 02 Sep 2012 21:19:13 +0200
User-agent: Mozilla/5.0 (X11; Linux x86_64; rv:15.0) Gecko/20120827 Thunderbird/15.0

Dear Zhicheng Guo,

first of all, please use the mailing list for further questions regarding ESPResSo (

To set up your system, you can use the polymer command to first create 150 polymers with 200 beads of the same type. Then loop over the particles to change the type of every third particle, to get the desired alternating particle type. Please understand that we expect users to be able to write simple programs, and therefore will not write the script for you.


On 09/02/2012 02:23 PM, guozhicheng222 wrote:

Dear Dr.Axel Arnold:

       Thanks for your time to read my letter.

       I am a Chinese student majored in physics. I want to utilize the ESPResSo soft to investigate the properties of polymer binder of F2313(PVDF and PCTFE mixed with the mole ratio of 1:3)depicted by two types of beads(named A and B, respectively) on the basis of DPD(Dissipative Particle Dynamics) method. In my simulation, I find the "polymer" command can not produce the special polymer with the two types of beads. So, can you give me some advices to construct this special polymer(In a 35*35*35 cubic box, to randomly place 150 polymer chains with the 200 monomers per chain and the 200 monomers represented by two types of beads, A for PVDF and B for PCTFE), especially the Tcl-script used in the steering level of ESPResSo. The enclosure contains the illustration of DPD model. I am hopefully waiting for your response.



                                                                                                                                Your's sincerely Zhicheng Guo

JP Dr. Axel Arnold	     Tel: +49 711 685 67609
ICP, Universität Stuttgart   Email: address@hidden
Pfaffenwaldring 27
70569 Stuttgart, Germany

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