-
Supplementary material for 'Towards a structural identification of metastable...
This dataset contains simulation input files for GROMACS (topologies, index, simulation parameters, starting frames, run script) to be able to reproduce the data in the... -
Supplementary material for 'Umbrella sampling and double decoupling data for ...
This dataset contains all relevant simulation input files (topologies, coordinates, simulation parameters), generated simulation output (final configurations, time series of... -
A unified approach to enhanced sampling
The sampling problem lies at the heart of atomistic simulations and over the years many different enhanced sampling methods have been suggested towards its solution. These...
