AMBER Archive (2006)

Subject: Re: AMBER: puzzles about solvatoct or solvatebox

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Thu Oct 12 2006 - 12:43:38 CDT

> I found that the solute is not in the center of oct-box

It sounds like there is a bug in solvateoct.

Bill
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