Dear AMBER
I was wondering what is the story of bugfix 18 in amber10.
I put an extra point on my ligand for better hydrogen bond description with the active site, and calculated the GBSA energy without any problem.
So, why you implemented bugfix 18 which asks for no GB with extra-pint?
BTW: extra-point was treated as a massless particle
Thanks in advance
Eliac
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Received on Wed Jan 19 2011 - 16:00:04 PST
