[AMBER] ESANDER output question

From: Matthew Guberman-Pfeffer via AMBER <amber.ambermd.org>
Date: Wed, 6 Mar 2024 16:48:54 -0500

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 - 14:00:02 PST