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 minimization is always performed on all the atoms, regardless of the presence of anchors. Update the workflow to use setforce 0 on the group of anchors.
The minimization is always performed on all the atoms, regardless of the presence of anchors. Update the workflow to use
setforce 0on the group of anchors.