When running the "distance" command in ptraj, I saw:
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Processing AMBER trajectory file ../prod.mdcrd
DISTANCE: box angles are zero, disabling imaging!
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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