From: Fateme Ghadirian (fateme.ghadirian_at_yahoo.com)
Date: Sat Nov 20 2021 - 10:26:31 CST

Dear NAMD users,

I have a system which contains afully hydrated bilayer with some particles in the aqueous part of the system. Thesimulation run is in NPT. I want to add constant electricfield to this system to investigate its possible effects on the particles andthe bilayer. In the following tutorial


It has used

eFieldOn yes

eField 0.0 0.0 -0.134
In its.conf file to do the constant electric field simulation.

But in the following link


The electric field in the .conf file hasapplied as follows

eFieldOn yes

eField 0.0 0.0 -0.134

eFieldNormalized yes

By searching in namd-l questions, I foundsome opposite explanations about eFieldNormilized:


1) The eFieldNormilized statement is intended toavoid excessive pressure in an NPTsimulation in the presence of a constant electric field.

2) The eFieldNormalized does not protect the simulation from “excessivepressure”: it simply defines the electric field with units relative to the unitcell.

I do not understand what eFieldNormalizedmeans and what its function in an NPT simulation is, any help for itsclarification would be appreciated.
And also I need to apply constant electricfield to my NPT simulation, should I use eFieldNormalized yes or not???

What are the consequences of not using theeFieldNormalized in Simulations?


Thanks in advance

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