# About the module of "External Electric Field "

From: wang (c00jsw00_at_nchc.org.tw)
Date: Wed Jul 12 2006 - 01:47:29 CDT

Dear all ,
Could you tell me how to assign a square wave to the value " *eField *" ?
THX
Wang

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 may be discontinuous in simulations
using periodic boundary conditions if, for example, a charged hydrogen
group moves outside of the central cell. There are two parameters that
control this feature.

* *eFieldOn * $<$ apply electric field? $>$
*Acceptable Values: * yes or no
*Default Value: * no
*Description: * Specifies whether or not an electric field is
applied.

* *eField * $<$ electric field vector $>$
*Acceptable Values: * vector of decimals (x y z)
*Description: * Vector which describes the electric field to be
applied. Units are ${\rm kcal} / ({\rm mol \; \AA} \; e)$, which
is natural for simulations. This parameter may be changed between
run commands, allowing a square wave or other approximate wave
form to be applied.

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