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From: | Sebastian Bindgen |
Subject: | Re: [ESPResSo-users] FENE+LJ bond |
Date: | Tue, 21 May 2019 09:55:34 +0200 |
Hey! You are mixing two things here. As I recall from your last mail you want to model polymer chain. Thus, you need to model two things: (1) The unbounded potential between monomers via the LJ/WCA interaction. (2) Bonds between these monomers. These bonds are only adding an interaction between two monomers in a linear chain. The other monomers are not effected by them. The way you added the two potentials is not very reasonable. Please refer to: https://journals.aps.org/pra/abstract/10.1103/PhysRevA.33.3628 for detailed instructions and parameters. Sebastian
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