acemd.utils module#

acemd.utils.view_forces(mol, forcefile, step=0, threshold=500, normalize=True, scalef=100)#

Visualize force vectors in VMD

Parameters:

mol (Molecule) – The Molecule with the coordinates on which to visualize the forces
forcefile (str) – The force file produced by ACEMD
step (int) – The simulation step for which to show the forces and coordinates
threshold (float) – Will only visualize forces with a magnitude above this threshold
normalize (bool) – If set to True it will normalize the force vectors to unit length
scalef (float) – Scaling factor by which to divide the force vectors (not used if normalize=True)