Re: AMBER: ambpdb TER problems

From: Bill Ross <>
Date: Mon, 26 Dec 2005 13:27:07 -0800 (PST)

> 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.

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Received on Wed Jan 04 2006 - 18:16:57 PST
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