Re: AMBER: bad connectivity - more detail

From: Seth Lilavivat <sethl.gatech.edu>
Date: Wed, 27 Dec 2006 14:42:42 -0500

"set RA.1 connect0 RA.1.P" seems to work OK, leap gives no reply and the head of
each residue is joined by the P correctly. "set RA.1 connect1 RA.1.O2*" and
leap replies with:

set: Improper number of arguments!
usage: set <container> <parameter> <object>
   or: set default <parameter> <value>

I looked at the .off file and can't make much sense of it.

Thanks,
SETH


Quoting "David A. Case" <case.scripps.edu>:

> On Wed, Dec 27, 2006, Seth Lilavivat wrote:
>
> > I tried setting the tail, head, connect1, and connect0 with no result :(
>
> Not sure what you mean by "no result" here. Did LEaP give any reply? Try
> using saveOff to save your residue, then examine (and perhaps modify) the
> connect0 and connect1 atoms.
>
> ...regards...dac
>
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Received on Sun Dec 31 2006 - 06:07:09 PST
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