Hello everyone,
I have read about coarse-grain simulations of microgel particles and I want to know if I can replicate this in gromacs. In this paper they were using patchy particles (bi- and tetravalent) to set up the structure with custom interactions between the patches. When the structure was self-assembled they replace the patchy particles with a bead-spring model.
I am quite new to MD-Simulation and I have only prepared all-atom simulations so far. Is gromacs able to simulate patchy particles with custom interactions or should I use other software for this? And if it is not, which software would be a good choice ? My python knowledge is quite good, if there are some ideas with extra coding.
Thanks for any help
GROMACS version: 2024.4
GROMACS modification: No