RE: AMBER: carnal iteration deviation from original crd file

From: Bill Ross <>
Date: Fri, 24 Oct 2003 08:35:53 -0700 (PDT)

> 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

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Fri Oct 24 2003 - 16:53:02 PDT
Custom Search