Extensible Simulation Package for Research on Soft matter
ESPResSo can perform Molecular Dynamics simulations of bead-spring models in various ensembles ((N,V,E), (N,V,T), and (N,p,T)). ESPResSo contains a number of advanced algorithms, e.g. * DPD thermostat (for hydrodynamics) * P3M, MMM1D, ELC for electrostatic interactions * Lattice-Boltzmann for hydrodynamics This package contains espresso compiled against Open MPI.
You can contact the maintainers of this package via email at
espresso dash maintainers at fedoraproject dot org.