[Top][All Lists]

[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

[ESPResSo-users] Closely bound monomers interacting via L-J potential

From: Clemens Jochum
Subject: [ESPResSo-users] Closely bound monomers interacting via L-J potential
Date: Thu, 19 Jan 2017 15:25:44 +0100
User-agent: Mozilla/5.0 (X11; Linux x86_64; rv:45.0) Gecko/20100101 Thunderbird/45.5.1


I have a system consisting of polymers, where all monomers interact via a Lennard-Jones potential.

In my case the offset r_off of the L-J interaction is about 4 times as large as the harmonic binding length of the monomers inside the polymer. Thus, the L-J interactions of each monomer with the next few binding partners inside each polymer should be neglected.

Is there an elegant way in Espresso to implement this?

Right now, my approach is to assign many individual ids to the monomers and then introduce corresponding L-J interactions. Depending on the total polymer number, this leads to the definition of a large number of L-J interactions. This seems like it could slow down the simulation.

Kind regards,


reply via email to

[Prev in Thread] Current Thread [Next in Thread]