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