AMBER Archive (2003)

Subject: RE: AMBER: carnal iteration deviation from original crd file

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Fri Oct 24 2003 - 10:35:53 CDT

> Damaged frames is the most possible explanation. What causes the frames to
> be damaged? Since carnal can recognise them can we do the same and exclude
> them from any calculation?

I'm not sure carnal can recognize damaged frames except when
the last frame in a file is truncated.

If an atom's coordinates overflow the format used to print,
the frame becomes unusable and I suspect that any coordinate-
reading program would exit, unable to handle a number like this:
"********".

Bill Ross

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