Dear all
I want to calculate the Bead-spring polymer melt many chains and FENE bonds using
using fix langevin of lammps command.
This is the same simulation as Kremer, Grest, J Chem Phys, 92, 5057 (1990).
In fix langevin on the LAMMPS manual, equation and damping factor was described
as following:
F = Fc + Ff + Fr
Ff = - (m / damp) v
Fr is proportional to sqrt(Kb T m / (dt damp))
In the reference paper(Kremer, Grest, J Chem Phys, 92, 5057 (1990)), friction
factor was set 0.5.
I understand taht if the friction factior in the paper is 1/damp in above
equation,
the damp factor in lammps will be set 1/0.5=2 according to above equation.
Can I use this damping factor of 2 in this simulation?