AMBER Archive (2004)

Subject: Re: AMBER: calcium van der Waals parameters

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Thu Nov 18 2004 - 12:25:49 CST

> 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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