AMBER Archive (2009)

Subject: [AMBER] Nab units ?

From: Marek Maly (marek.maly_at_ujep.cz)
Date: Fri May 22 2009 - 19:20:14 CDT

Dear all,

I found this sentence in AmberTools1.2 manual.

"Coordinates, energy, and gradient are in NAB units."

It is on the page 209 - description of the function XMIN().

I have two questions.

#1

It is just function XMIN where all the outputs are in "NAB units" ?

#2

Would be nice to know how "NAB units" are defined. For examle how
relevant NAB energy unit could be transformed into common unit kcal/mol.

Thanks in advance for the explanation !

With the best wishes,

   Marek 

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