Hamiltonian replica exchange

GROMACS version:
GROMACS modification: Yes/No
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Is Hamiltonian replica exchange implemented in all gromacs version, and if I want to run Hamiltonian replica exchange only using gromacs without plumed is it possible?


As of yet, no.

Dear all,

I am trying to compute a binding energy using alchemical transformation and following this tutorial
I have found that the use of Hamiltonian Replica Exchange (HREX) can considerably improve the sampling. The command line they suggest (on GROMACS2016) is:

mdrun -multidir lambda.*/PROD/ -s prod.tpr -deffnm prod -replex 1000 -nex 1000000

and does not include plumed. I tried to run it on my system and I am getting errors that I cannot solve. So I was wondering: is this wrong or is actually possible to run HREX without plumed?

Thank you very much for your time,