Dear Amber users/developers,
I have a question about the definition of EPTOT in Amber. Does it
include the part of potential energy that comes from interaction
between atoms at the edge of the primary box and that in the images
(i.e. the imaging atoms that are within cutoff of the primary box
atoms)?
Thank you very much!
Best,
Mo Chen
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Received on Wed Feb 20 2013 - 16:00:02 PST
