AMBER Archive (2005)Subject: Re: AMBER: ambpdb TER problems
From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Mon Dec 26 2005 - 15:27:07 CST
> addions omc K+ 0
> solvatebox omc TIP3PBOX 8.0
If you reverse the order, leap will replace single waters w/ ions,
rather than subtracting multiple waters that happen to partially
overlap the ion.
Bill
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