Enhance electrostatic interactions?

From: Wendy González (locuswendy_at_gmail.com)
Date: Thu Oct 21 2010 - 07:32:46 CDT

Dear all:

I am studying a system where one GLU seem to have a electrostatic
interaction with one HSP that is nearby. But, in my MD simulations this
interaction (that should bring the HSP closed to the GLU) is not taking
place. Can I enhance the electrostatic field of this GLU or can I make my MD
with fullelectfreq = 2 to see this phenomena??? My Integrator Parameters
timestep 0.5
rigidBonds all
nonbondedFreq 2
fullElectFrequency 4
stepspercycle 20

Thanks for your answers,

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