[lammps-users] Different behavior when using loop.

Hi all,

I am running a Brownian dynamics simulation. When using a loop (to change the damp factor in “fix langevin”) the resulting trajectory is not stochastic but without the loop trajectory is stochastic. The code and the trajectories(plot) are attached.



brownian.lmp (1.4 KB)

In the input script, I see no type 1 atoms being created. Only type 2.

Michael Jacobs
PhD Candidate
Dobrynin Group
UNC at Chapel Hill

Hi Diljith!

You need to unfix nve and langevin before exiting each loop. It is an interesting exercise to work out why you did observe what you did.