AMBER: Once again, "distance" command in ptraj

From: Roberto Veiga <roberto.sapiens.gmail.com>
Date: Mon, 4 Jun 2007 16:06:19 +0200

When running the "distance" command in ptraj, I saw:

-------------------------------------------------------------------------------------------------------
Processing AMBER trajectory file ../prod.mdcrd
DISTANCE: box angles are zero, disabling imaging!
-------------------------------------------------------------------------------------------------------

and I got a distance much larger than I expected between two residues
(because imaging was not used). But in my inpcrd files I provided box
information (box angles are all 90.0 degrees). In ptraj, I used the command
box to reset the box properties, but I got the same. Anything missing?

[]s,

Roberto

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Received on Wed Jun 06 2007 - 06:07:18 PDT
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