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.
In many cases, it can be difficult to properly place the centroid of a rotation on an arbitrary structure. However, the centroid can be obtain by taking the geometric center of the selection attached to the motor.
Add an option in the RotateMotor to ask the frontend to to use the geometrical center of the selection as rotation centroid.
In many cases, it can be difficult to properly place the centroid of a rotation on an arbitrary structure. However, the centroid can be obtain by taking the geometric center of the selection attached to the motor.
Add an option in the RotateMotor to ask the frontend to to use the geometrical center of the selection as rotation centroid.