AMBER Archive (2002)

Subject: Re: err in specifying disulphide bridge using xleap!

From: David A. Case (case_at_scripps.edu)
Date: Mon Dec 02 2002 - 11:05:01 CST

On Mon, Dec 02, 2002, A.Madhumalar wrote:

> When i tried to specify the disulphide bridge using xleap module of
> amber7 using bond command, i ended up with an err stating
>
> !FATAL: In file [unitio.c], line 1763
> !FATAL: Message: 1-4: cannot add bond 1384 1573
>
> but i didn't specify the bond bet 1384 & 1573.can anybody tell me where i
> am doing mistake?

Since you don't say anything about what you did, it's not likely that anyone
will be able to help. The message above doesn't (necessarily) have anything
to do with disulfide bond formation, but it might. At a minimum, you should
figure out what atoms 1384 and 1573 are in your structure. Look carefully
at the leap.log file to see if there are any helpful messages there.

If you still need assistance, you will have to provide more information,
including the *exact* syntax of the LEaP commands you used.

..dac 

-- 

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