AMBER Archive (2004)

Subject: Re: AMBER: How does LEaP place Na+ ions?

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Thu Jan 22 2004 - 11:12:07 CST

> TO neutralize the system containing DNA and water,
> LEaP module can be used to add Na+ ions. Could anyone
> tell me how Na+ ions are placed, at positions of
> bisector O1P-P-O2P, or iterative electrostatic
> calculations?

The latter.

Bill Ross

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