Kremer-Grest Polymer Model

Hi Users,

I’m using the Kremer-Grest polymer model and wanted to clarify the Langevin damping parameter. In the original paper, they use a damping parameter of 0.5 (inverse time units). However, in the Langevin doc. page, it has the dampening parameter as time units, so my question, should the dampening parameter in LAMMPS be set to (1/0.5)=2?


I’d guess so - you can try it and see if
you reproduce results from the original paper.

There is a range of Langevin damping params
that should work fine.