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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Received on Sat May 23 2009 - 01:13:20 PDT
