cgexplore.utilities.soften_forcefield¶
- cgexplore.utilities.soften_forcefield(assigned_system, bond_ff_scale, angle_ff_scale, new_name)[source]¶
Soften force field by scaling parameters and turning off torsions.
- Parameters:
assigned_system (AssignedSystem | MartiniSystem) – Molecule with force field terms assigned that will be modified.
bond_ff_scale (float) – Scale (divide) the bond terms in the model by this value.
angle_ff_scale (float) – Scale (divide) the angle terms in the model by this value.
new_name (str) – New name for system xml.
- Returns:
New assigned system.
- Return type: