Dear Modellers,

I've faced an error with same error message that I met before.

I can't figure out the error in my input files.

.ali file is generated by THREADER (by D.T. Jones).

.ali, .top and log file are described below.

Any help or comment will be much appreciated.

Thank you.


Ali file

>P1;1ajs
structureX:p1ajs:1:A:412:A:PDB::0.00:0.00
--APPSVFA-E-VPQAQPVLVFKLIADFREDPDPRKVNLGVGAYRT-DDCQPWVLPVVRKVEQRIANNSSL-------NHEYLPILGLAEFRTCASRLALG-DDSPALQEKRVGGVQSLGGTGALRIGAEFLARWYNGTNNKDTPVYVSSPTWENHNGVFTTAGFKDIRSYRYWDTEKRGLDLQGFLSDLENA-PEFSIFVLHACAHNPTGTDPTPEQWKQIASVMKRRFLFPFFDSAYQGF--ASGNLEKDAWAIRYFVSEGFELFCAQSFSKNFGLYNERVGNLTVVAKEPDSILRVLSQMQKIVRVTWSNPPAQGARIVARTLSDPELFHEWTGNVKTMADRILSMRSELRARLEALK----TPGTWNHITDQIGMFSFTGLNPKQVEYLINQKHIYLLPSGRINMCGLTTKNLDYVATSIHEAVTKIQ*
>P1;SEQ
sequence::::::SEQ::0.00:0.00
MFKSMIMAPPDPILGLSKI--------YHSDTKKNKINLGIGVYIEKFHAAPILE-SVKQAEDLLLKKEISKNYLAIEGSNDFNNANQ--------TLLFGPNDS-IISKNRIRTVQAPGGTGALRIAAECIAKYDNTINKKRRI-WISEPSWVNHKNIFFAAGLEVCTYPYYQKSTHS-IEFDKLIDTFNNIVKPGDIVLLHGCCHNPTGMDPTIEQWKMLSECAEKNRWIPLFDLAYQGFDNGLQE---DLIGLHMFCKNNPELIVCNSYSKNFGLYNERVGACTIITENNNHADCVLSQLRATIRAIYSNPPAHGAAIVSTILQNKTLRFIWEKELKNMRDHIKNMRKLLFNTLNKYKNSKVINQDFSFINNQKGMFAYIGLNSNQVIKLREELGIYLVDSGRLNLAGLSHKNIDYICNAICNLYI---*



Top file

INCLUDE
SET OUTPUT_CONTROL = 1 1 1 1 1
SET ALNFILE = 'model.ali'
SET KNOWNS = '../pdb/pdb1ajs.ent'
SET SEQUENCE = 'SEQ'
SET STARTING_MODEL = 1
SET ENDING_MODEL = 1
SET HETATM_IO = off
SET WATER_IO = off
SET LOOP_MD_LEVEL = 'refine_1'
SET MD_LEVEL = 'refine_1'
CALL ROUTINE = 'model'



log file

Dynamically allocated memory at         amaxseq [B,kB,MB]:      2205269    2153.583     2.103
openf5__224_> Open       11  OLD  SEQUENTIAL  model.ali

Dynamically allocated memory at         amaxbnd [B,kB,MB]:      8512161    8312.657     8.118
openf5__224_> Open       11  OLD  SEQUENTIAL  model.ali
read_al_375E> Unknown residue type,position,sequence:          1        1
recover____E> ERROR_STATUS >= STOP_ON_ERROR:        1       1

Dynamically allocated memory at          finish [B,kB,MB]:      8512161    8312.657     8.118
Starting time                                            : 2005/03/10  22:34:12.278
Closing time                                             : 2005/03/10  22:34:13.182
Total CPU time [seconds]                                 :       0.87



Joo-Hyun Seo,

Molecular Biotechnology & Biomaterials Lab.,

School of Chemical Engineering,

Seoul National University

 

Tel)+82 2 880 7528
Fax)+82 2 874 1206
E-mail) seojoohyun@nate.com01191219079@nate.com



 
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