Radahn is an interactive molecular dynamic application allowing users to steer their MD simulations and getting live feedback. The framework is currently build around LAMMPS as a simulation backend and will be extended to Gromacs in the future.
The runtime of Radahn does generate new commands at each cycle but these commands are only logged in the log.lammps file, which is fairly spam. Make the complete lammps commands also written in a separate file containing only the commands executed by lammps.
The runtime of Radahn does generate new commands at each cycle but these commands are only logged in the log.lammps file, which is fairly spam. Make the complete lammps commands also written in a separate file containing only the commands executed by lammps.