AMBER Archive (2007)

Subject: Re: AMBER: LEaP crashes

From: David A. Case (case_at_scripps.edu)
Date: Wed Feb 28 2007 - 12:03:29 CST

On Wed, Feb 28, 2007, Beale, John wrote:
>
> ! FATAL ERROR
> ! FATAL: In file [unitio.c], line 1769
> ! FATAL: Message: 1-4: cannot add bond 104 701
>

Try to use the "desc" command to look at atoms 104 and 701: do they have any
weird bonds? Is it possible that the disulfide bond has already been added,
and you are trying to add it a second time?

If this doesn't yield anything obvious, please post the pdb file and the exact
commands you used. I don't see immediately what is going on, and I don't
recall that anyone else has reported such a message.

...thanks...dac
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