Brownian Dynamics Parameters

[dalip]

GROMACS version:
GROMACS modification: Yes/No
Is anyone has experience doing Brownian dynamics using Gromacs for any kind of polymer? I need help in setting up some of the control parameters. I am aware of bd integrator and friction coefficient but it seems not working for my system. Any help will be appreciated!

[alevilla]

Hi,
I can not understand exactly what is your problem.

But maybe you can look at this post

BD stops after some steps

GROMACS version: 2020.3 GROMACS modification: No I am performing Brownian Dynamics with hard spheres. But the simulation stops after a random number of steps, Gromacs keeps running but I don’t have evolution on the number of steps in any output file. First I was using only the C12 part of the LJ potential and I thought this problem could be due to two particles getting to close together and the potential getting to big. So I added the C6 term, the problem took longer to appear, the simulation…

or other posts in the forum on brownian dynamics

Best regards
Alessandra