Dear AMBER Community,
I was performing simulations of a Gold-Water interface to study electric
Double Layer. I've notice that when I use the flag iwrap = 1, the gold
atoms in the slab leave the well-organized structure, what it's not
supposed to happen, but the calculations are performed normally. I've set
iwrap = 0 and the problem stopped. Could somebody helps me explaining why
that happens?
Sincerely yours,
Lucas Bandeira
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Received on Wed Jun 26 2019 - 11:30:02 PDT
