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° | Interactions | - | Set force field terms |
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| | | Command | | Argument | | Datatype | | Default | | Min | | Max | |
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| Format: | | Interactions | Type = Bond | Angle | Dihedral | Planarity | VdW | Coulomb | All | None | | STRING | | - | | - | | - | | |
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| Python: | | Interactions(Type) |
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| Menu: | | Simulation > Force field | | ||||||||||
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| Related: | | ForceField , Longrange, Cutoff , ScaleForce | | ||||||||||
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| Required: | |  |
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The Interactions
command allows to selectively deactivate force field components.
Not all combinations of interactions are currently supported. With the NOVA force field,
Planarity, Coulomb or (Coulomb+VdW) interactions can be disabled. With AMBER style force fields
(including YAMBER), VdW interactions can only be disabled together with Coulomb interactions,
and planarity interactions are always linked to the setting for dihedral interactions.
The ForceField and
Reset commands reactivate all interactions.
Example 1:
Interactions All
Calculate all interactions during simulation.
Example 2:
Interactions Bond,Angle,Dihedral,Planarity
Do not calculate intermolecular forces (Coulomb,VdW).
Example 3:
Interactions Bond,Angle,Dihedral,Planarity,VdW
Calculate all except Coulomb forces.