Re: [AMBER] linear interaction energy tool in AMBER

From: Adrian Roitberg <roitberg.ufl.edu>
Date: Fri, 6 Mar 2020 11:47:52 -0500

They should be kcal/mol, as all other unites of energy in Amber.

adrian


On 3/6/20 12:24 AM, Akshay Prabhakant wrote:
> [External Email]
>
> Hello to the AMBER Community,
> I would like to know the units of both the electrostatic and vanderwaal's
> energies that are given as an output by lie(linear interaction energy tool
> in CPPTRAJ, AmberTools).
>
> Thanking in advance,
> Akshay Prabhakant.
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-- 
Dr. Adrian E. Roitberg
V.T. and Louise Jackson Professor in Chemistry
Department of Chemistry
University of Florida
roitberg.ufl.edu
352-392-6972
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Received on Fri Mar 06 2020 - 09:00:02 PST
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