At the moment the length of the simulation is not exposed to the user - it is hidden in the Gromacs .mdp parameter files (as nsteps variable) for both the minimisation and production runs.
We should expose this (at least for the production run) in the SimulationDataSourceModel, so that the parameter file values can be overridden / updated
At the moment the length of the simulation is not exposed to the user - it is hidden in the Gromacs
.mdp
parameter files (asnsteps
variable) for both the minimisation and production runs.We should expose this (at least for the production run) in the SimulationDataSourceModel, so that the parameter file values can be overridden / updated