AMBER Archive (2005)

Subject: RE: AMBER: wierd behavior of addions

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Tue Mar 22 2005 - 15:23:52 CST

> As a test skip the charge neutralisation stage and try solvating your system
> and see if you get weird behaviour here as well.

If you addIons after solvating, you will get better packing
since in this case the ion replaces a water. Compiler-related
problems aside..

Bill
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