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Yes, MPCD would be a very good method for doing so. It imparts Zimm-like dynamics to polymer chains at a significantly lower computational cost than an explicit solvent with pairwise interactions. The code snippet you pasted above is not for MPCD. Can you please provide a minimal working script of what you tried for using MPCD, along with a description of what setup you are trying to achieve? |
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Hello everyone,
I'm currently running HOOMD-blue 5.1.1 simulations using Python 3.12 (in Windows 11, WSL2, Ubuntu). I am trying to simulate the diffusion of a polymer chain inside of a solvent while limiting the duration of the simulation. Is there a way to add an implicit solvent to the system which would be able to simulate hydrodynamic interactions (seeing an effect of the stiffness/radius of gyration of the polymer on its diffusion coefficient) without simulating all the solvent particles ?
So far I tried to implement it using mpcd but I couldn't manage to observe a variation in the diffusion coefficient by doing so.
Thank you by advance and best regards !
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