AMBER: Minimization problem: coordinates out of virtual box

From: Zu Thur Yew <>
Date: Mon, 24 Jul 2006 13:53:19 +0100


I'm using Amber8 and encountered an error when trying to minimize my
system as part of a MM_GBSA run and the error from sander is
"coordinates out of virtual box"....does this mean that I have to image
my traj before carrying out the minimization?

I'm aware that energy evaluation and rmsd do not require imaging...I
assume that atomicfluct and PCA doesn't require imaging as well...

I'm somewhat confused by which type of operations require imaging and
which doesn't.....are there any general rules??

Thanks for any help!


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Received on Wed Jul 26 2006 - 06:07:07 PDT
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