Re: Simple PME Question

From: Brian Radak (brian.radak_at_gmail.com)
Date: Mon Feb 19 2018 - 11:04:12 CST

Can you clarify what you mean by "the PME"? Do you mean the charge grid?
The reciprocal space energy? The electrostatic potential?

On Mon, Feb 19, 2018 at 11:04 AM, Alex Saad-Falcon <alexsaadfalcon_at_gmail.com
> wrote:

> All,
>
> Is the particle mesh ewald that is computed each n steps of the
> computation stored anywhere in the output files? Is there any way to
> extract the PME for each time step and store it?
>
> Thanks,
>
> Alex
>
>

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