Dear all,
first i apologise for the not completely to GROMACS related question.
I have heard that the description of divalent cations in classical MD
simulations is sometimes flawed. Cations leaving the binding side of
proteins...
The GROMACS online documentation (under 'exotic species') mentions
quantum effects, but gives no reference :(
Does anybody know a publication, which discusses the topic (problems of
divalent cations)?
Thanks in advance.
Thomas
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