> I would like to know how the parameters for the calcium ions which can be
> found in parm99.dat have been obtained.
I suggest reading the Aqvist paper, the amber manual section on deriving
new parameters, the Ross & Hardin paper referenced there, and for the
conversion of the params from Aqvist->amber see the FAQ.
Bill
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Received on Thu Nov 18 2004 - 18:53:00 PST
