Simulation files (Gromacs 4.6.7 format) for the "E-field weak, upright mode" simulations in Ref. [1]. There are 20 replicas marked with "_1" , "_2", etc. Files include:...

This archive contains the material required to reproduce the results for the PhD thesis "Development Of A Performance-Portable Framework For Atomistic Simulations".

Simulation files (Gromacs 4.6.7 format) for the "Unbound" simulations in Ref. [1]. There are two replicas marked with "_4"  and "_5". Files include: -trajectories (.xtc) that...