Re: AMBER: box shape changed at NVT

From: David A. Case <case.scripps.edu>
Date: Wed, 11 Jun 2008 08:18:46 -0700

On Wed, Jun 11, 2008, fatima.chami.durham.ac.uk wrote:
>
> The shape of my simulation box has changed despite running at constant
> volume ?
>

What is your (detailed) evidence that this is happening? Either you are not
really running NVT, or the box shape is not really changing, (or you have
encountered a new bug). We can't help without knowing what you did, and what
makes you think the box shape is changing.

...dac

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Received on Sun Jun 15 2008 - 06:07:13 PDT
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