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Re: [lammps-users] Bond quartic question
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Re: [lammps-users] Bond quartic question

From: Carsten Svaneborg <alert@...4232...>
Date: Fri, 21 Jul 2017 21:41:25 +0200

Dear Steve & List,

Agreed that the complexity is needed if bonded WCA differs from non-bonded WCA.

It's because I'm interested in breaking cross-links between Kremer-Grest polymers, and using bond/quartic seemed overly complicated and computationally expensive in this case. I'm implemented a simplified version, which assumes special_bonds 111 and bonds are just FENE springs without the WCA contribution.

Carsten Svaneborg, Ph.D. Associate Professor
Department of Physics, Chemistry and Pharmacy
University of Southern Denmark (SDU)
Campusvej 55, Odense M 5230, Denmark
Phone: +45 6550 8614 (office)
Email: science@...4232..., zqex@...4583...