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External Electric Field

NAMD provides the ability to apply a constant electric field to the molecular system being simulated. Energy due to the external field will be reported in the MISC column and will be continuous even in simulations using periodic boundary conditions as unwrapped coordinates are used to calculate energy and pressure, resulting in linearly increasing pressure over time for systems with free ions. To avoid this effect, for periodic simulations the new eFieldNormalized option should be used with the electric field vector multiplied by the cell dimension. There are three parameters that control this feature.


next up previous contents index
Next: Grid Forces Up: User Defined Forces Previous: Constant Forces   Contents   Index
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