[lammps-users] Different behavior when using loop.

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1

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.

regards,

Diljith

brownian.lmp (1.4 KB)

brownian-trajectory-with-loop.png
brownian-trajectory-with-loop.png943×511 12.9 KB

brownian-trajectory-without-loop.png
brownian-trajectory-without-loop.png943×511 15.7 KB

2

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

3

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.

Cheers
Shern