Re: What happened when PBC is on but PME is off?

From: JC Gumbart (gumbart_at_ks.uiuc.edu)
Date: Wed Aug 15 2007 - 17:50:58 CDT

You are correct. Short range electrostatics are governed by the
cutoff; anything beyond that is handled by PME.

On Aug 15, 2007, at 3:18 PM, Dong Luo wrote:

> Will the full electrostatic interaction not be
> calculated with PME set to off?
> Simulation results obtained by switch PME on and off
> differed bigly.
>
> Dong
>
>
>
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