AMBER Archive (2006)

Subject: Re: Re: AMBER: Pressure problem with restraint

From: David A. Case (case_at_scripps.edu)
Date: Wed Oct 04 2006 - 17:19:50 CDT

On Wed, Oct 04, 2006, Jianhui wrote:

> By "solvate the micelle in that box" do you mean that I put the micelle
> into the equilibrated Isooctane box to solvate it?

Yes; but please also look visually at your current results as I suggested
earlier, since that may help to identify the source of the problem.

...dac

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