counterions

From: himanshu chandola (beu99419_at_ccsun50.iitd.ac.in)
Date: Tue Mar 30 2004 - 02:53:19 CST

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hi all -
subsequently to the discussion on counterions : what if i start a pme
simulation using particle ewald summation method without adding
counterions.Does namd include a background charge if the system is not
neutral and running ewald summation? Has anyone tried running an namd
simulation using particle ewald without neutralizing the system?

I guess particle ewald requires a neutral system but has anyone tried
running simulations without neutralizing the system in whole?

himanshu

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