[AMBER] Amber energy minimization and the energy unit

From: Vasantha Kumar <vin.vasanth.gmail.com>
Date: Thu, 10 Jan 2019 23:45:10 -0500

Dear Amber

For each NSTEPS during structure minimization AMBER writes the
corresponding energy in the output file, I am wondering what is the
energy unit, is it ca, or kcal or kcal/mol.

With many thanks
Vince
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Received on Thu Jan 10 2019 - 21:00:03 PST