Re: Re: AMBER: Pressure problem with restraint

From: David A. Case <case.scripps.edu>
Date: Wed, 4 Oct 2006 15:19:50 -0700

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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Received on Sun Oct 08 2006 - 06:07:11 PDT
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