Dear Amber Community,
I've run restrained MD refinements using both invacuo and GB solvation
models. I would like to compare energies but they seem to be scaled
much differently. The invacuo structures on the scale of -700
kcal/mol whereas the GB ones are on the scale of -3900 kcal/mol. How
can I compare the energies of these two structures?
Thanks,
Seth
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Received on Sun Jun 10 2007 - 06:07:12 PDT
