Dear users,

I'm currently doing some experiments with the implicit solvation model running on GPUs with GROMACS.


I can make simple (conventional MD) simulations using the GPUs, allowing great acceleration by using 1 GPU. However, I was wondering about how to make Replica Exchange Molecular Dynamics (REMD) with the GPUs. I suppose each GPU can be used to run a replica, is this possible?



thanks in advance,
Leandro Bortot

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