AMBER Archive (2006)

Subject: AMBER: Minimization problem: coordinates out of virtual box

From: Zu Thur Yew (yewzt_at_intern.bii-sg.org)
Date: Mon Jul 24 2006 - 07:53:19 CDT

Hi,

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!

zt

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu