Re: [AMBER] ESANDER output question

From: Carlos Simmerling via AMBER <amber.ambermd.org>
Date: Wed, 6 Mar 2024 16:57:40 -0500

add them

On Wed, Mar 6, 2024 at 4:49 PM Matthew Guberman-Pfeffer via AMBER <
amber.ambermd.org> wrote:

> Dear AMBER community,
>
> To get the total electrostatic energy from ESANDER output, do I need to
> sum the [elec] and [elec14] columns? Or, is the [elec14] contribution
> already included in the [elec] data?
>
> Best,
> Matthew
>
>
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Received on Wed Mar 06 2024 - 14:00:03 PST
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