[gmx-users] Replica Exchange with GPUs

[leandro.bortot at usp.br]

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