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Re: residue type undefined
- To: "J.U. Flanagan Biomedical Research Centre" <j.u.flanagan AT dundee.ac.uk>
- Subject: Re: residue type undefined
- From: Andras Fiser <andras@tuba>
- Date: Tue, 18 Jul 2000 17:00:54 -0400
- Cc: modeller_usage
- Organization: The Rockefeller University
- Reply-to: fisera AT rockefeller.edu
Hi,
It probably means that there is such a residue which does not have an entry in
the used topology library. include in your top file SET OUTPUT_CONTROL = 1 1 1
1, it will give you more detailed log file possibly reporting the problematic
residue.
Andras
"J.U. Flanagan Biomedical Research Centre" wrote:
>
> Hi all,
>
> Could anyone tell me what this error message is indicative of, and how I
> can fix it?
>
> iup2crm_E> IUPAC atom not found in topology library: CG
> iup2crm_E> residue type undefined
> recover__> MODELLER_STATUS >= STOP_ON_ERROR: 1 1
>
> Thanks in advance
>
> Jack
--
,
Andras Fiser, PhD # phone: (212) 327 7206
The Rockefeller University # fax: (212) 327 7540
Box 270, 1230 York Avenue # e-mail:fisera AT rockefeller.edu
New York, NY 10021-6399, USA # http://salilab.org/~andras