[modeller_usage] Error: Array too small. Increase MAXBND

[K S Doctor <>]

How do I deal with the following error:

getf____223E> Array too small. Increase  MAXBND
             current maximum, current need:     6180     6181
recover____E> ERROR_STATUS >= STOP_ON_ERROR:        1       1


I am running a 479 AA protein + a HETATM (NAG or "1") which is described 
in /modlib/restyp.lib

I have had no problem running the dimer 479 AA * 2 , but without the 
HETATM.

I am attaching the top file and representative ali, the PDB is the 
public one.
Simply setting SET MAXBND = 6181 in the TOP file did not work (error)

thanks,
Kutbuddin
@ The Burnham Institute - SD, CA

;1ew2monomer
>P1;1EW2_A
structureX:1ew2_A:1:A:::PLAP:Homo sapien::
IIPVEEENPDFWNREAAEALGAAKKLQPAQTAAKNLIIFLGDGMGVSTVTAARILKGQKK
DKLGPEIPLAMDRFPYVALSKTYNVDKHVPDSGATATAYLCGVKGNFQTIGLSAAARFNQ
CNTTRGNEVISVMNRAKKAGKSVGVVTTTRVQHASPAGTYAHTVNRNWYSDADVPASARQ
EGCQDIATQLISNMDIDVILGGGRKYMFRMGTPDPEYPDDYSQGGTRLDGKNLVQEWLAK
RQGARYVWNRTELMQASLDPSVTHLMGLFEPGDMKYEIHRDSTLDPSLMEMTEAALRLLS
RNPRGFFLFVEGGRIDHGHHESRAYRALTETIMFDDAIERAGQLTSEEDTLSLVTADHSH
VFSFGGYPLRGSSIFGLAPGKARDRKAYTVLLYGNGPGYVLKDGARPDVTESESGSPEYR
QQSAVPLDEETHAGEDVAVFARGPQAHLVHGVQEQTFIAHVMAFAACLEPYTACDLAPP/
1*
>P1;1ew2_delta
sequence:1ew2_delta::::::::
IIPVEEENPDFWNREAAEALGAAKKLQPAQTAAKNLIIFLGDGMGVSTVTAARILKGQKK
DKLGPEIPLAMDRFPYVALSKTYNVDKHVPDSGATATAYLCGVKGNFQTIGLSAAARFNQ
CNTTRGNEVISVMNRAKKAGKSVGVAAAARVQHASPAGTYAHTVNRNWYSDADVPASARQ
EGCQDIATQLISNMDIDVILGGGRKYMFRMGTPDPEYPDDYSQGGTRLDGKNLVQEWLAK
RQGARYVWNRTELMQASLDPSVTHLAAAAEPGDMKYEIHRDSTLDPSLMEMTEAALRLLS
RNPRGFFLFVEGGRIDHGHHESRAYRALTETIMFDDAIERAGQLTSEEDTLSLVTADHSH
VFSFGGYPLRGSSIFGLAPGKARDRKAYTVLLYGNGPGYVLKDGARPDVTESESGSPEYR
QQSAVPLDEETHAGEDVAVFARGPQAHLVHGVQEQTFIAHVMAFAACLEPYTACDLAPP/
1*

# default model

INCLUDE                             # Include the predefined TOP routines

SET OUTPUT_CONTROL = 1 1 1 1 1      # uncomment to produce a large log file
SET ALNFILE  = 'monomer_v4.ali'     # alignment filename
SET KNOWNS   = '1EW2_A'         # codes of the templates
SET SEQUENCE = '1ew2_delta'             # code of the target
SET ATOM_FILES_DIRECTORY = './:../atom_files' # directories for input atom files
SET STARTING_MODEL= 1               # index of the first model 
SET ENDING_MODEL  = 1               # index of the last model
                                    # (determines how many models to calculate)
SET HETATM_IO = on                  # 
SET WATER_IO = off                  #

;SET MAXBND = 6181                   # based on output log need

CALL ROUTINE = 'model'              # do homology modelling