Hi all: Anyone has met such an error " Array too small. Increase MAXBND"? I was trying to build a small ligand into the model, it seems that sth wrong with the process of creating topology. I tried both modeler6vs2 and modeler7v7, unfortunately they gave the same errors. Here is the final part of the log file: *********************************************************************** TOP_________> 135 91 CALL ROUTINE = 'create_topology'
TOP_________> 136 106 GENERATE_TOPOLOGY ADD_SEQUENCE = OFF
mkilst______> segment topology constructed from sequence and RTF: segments residues atoms bonds angles dihedrals impropers: 1 513 4139 4201 0 0 1775
patch_______> segment topology patched using RTF: 1 ; MET ; NTER segments residues atoms bonds angles dihedrals impropers: 1 513 4139 4201 5696 6784 1775
genseg______> segment topology constructed from sequence and RTF: segments residues atoms bonds angles dihedrals impropers: 1 513 4139 4201 5696 6784 1775 getf____223E> Array too small. Increase MAXBND current maximum, current need: 6948 6949 recover____E> ERROR_STATUS >= STOP_ON_ERROR: 1 1
Dynamically allocated memory at finish [B,kB,MB]: 8307049 8112.353 7.922 Starting time : 2004/10/26 14:20:01.859 Closing time : 2004/10/26 14:20:05.468 Total CPU time [seconds] : 3.28 ********************************************************************* Anyone has some ideas about it? Thanks.
youbin