|Subject:||Re: [ESPResSo-users] Closely bound monomers interacting via L-J potential|
|Date:||Thu, 19 Jan 2017 17:05:43 +0100|
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.
|[Prev in Thread]||Current Thread||[Next in Thread]|