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Re: residue type undefined



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:
New York, NY 10021-6399, USA # http://salilab.org/~andras