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