AMBER Archive (2003)

Subject: Re: AMBER: saveamberprep in xLeap

From: David A. Case (case_at_scripps.edu)
Date: Fri Aug 08 2003 - 11:38:34 CDT


On Fri, Aug 08, 2003, Mi-Kyung Seo wrote:
>
> I build disacchride (two galactose) in xLeap and Unit contains two residues
> when I use "desc" command.
> I save it in prep format using saveamberprep command but it says the
> following message.
>
> >saveamberprep unit myunit.prep
>
> saving prep, residue UNK
> UNK: connect0 not defined
> UNK: connect1 not defined
> saving prep, residue UNK
> UNK: connect0 not defined
> UNK: connect1 not defined
> -- Remember to delete unwanted IMPROPER terms!

As far as I know, it is not required to have "connect" atoms defined; is the
above just a warning or a fatal error? What happens if you save to off
format (saveOff) instead?

..good luck...dac

-- 

================================================================== David A. Case | e-mail: case_at_scripps.edu Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896 The Scripps Research Institute | phone: +1-858-784-9768 10550 N. Torrey Pines Rd. | home page: La Jolla CA 92037 USA | http://www.scripps.edu/case ================================================================== ----------------------------------------------------------------------- The AMBER Mail Reflector To post, send mail to amber_at_scripps.edu To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu