GROMACS version:2019.2
GROMACS modification: Patch Plumed2.5.4
Dear Gromacs users,
I am doing Umbrella Sampling calculations with Plumed and I want to try also Replica exchange. I am not sure anyway how to configure the folder architecture for the jobs and I am not finding any recent tutorial in how to do it, since some flags have been changed in the last versions. Anyone tried?
Why using plumed to do umbrella sampling?