How to use brownian dynamics with gromacs

User discussions
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1

GROMACS version:2021.4
GROMACS modification: No
I want to study the protein aggregation of two different protein, one is the monomer and another is a fibril having 5 chains. I want to use coarse-grained model. Is it possible to use brownian dynamics with gromacs?

2

Yes, you can set the integrator to bd in the mdp file for brownian dynamics (you can find more details on setting up the mdp parameters at https://manual.gromacs.org/documentation/2018/user-guide/mdp-options.html#run-control)

3

thank you, I got it

4

Hi, Sir. Have You performed your BD simulation of proteins? Could You tell me please how to set mdp files and a system for BD simulation?