Hello, I'm looking for any assistance anyone can offer with the following problem. I am attempting to create a model of a nitroreductase, and I'm getting the following error.

addatms_223E> Array too small. Increase MAXATM current maximum, current need: 2964 2965 recover____E> ERROR_STATUS >= STOP_ON_ERROR: 1 1

The only reference to it in the archives that I have found, just notes it as a possible bug. I'm a fairly new user and am attempting to follow the manuals guidance on this. It appears to occur when I call GENERATE_TOPOLOGY SEQUENCE in the TOP file. My TOP file looks something like :

SET OUTPUT_CONTROL = 1 1 1 1 1 SET ATOM_FILES_DIRECTORY = './:../atom_files' READ_TOPOLOGY FILE='$(LIB)/top.lib' READ_PARAMETERS FILE='$(LIB)/par.lib' READ_MODEL FILE='1ICV' SEQUENCE_TO_ALI ATOM_FILES = '1ICV', ALIGN_CODES='1ICV' SEQUENCE_TO_ALI ADD_SEQUENCE=off, ATOM_FILES=ATOM_FILES '1ICV.ini',; ALIGN_CODES = ALIGN_CODES '1ICV-ini' GENERATE_TOPOLOGY SEQUENCE = '1ICV-ini' TRANSFER_XYZ BUILD_MODEL INITIALIZE_XYZ=off MAKE_RESTRAINTS RESTRAINT_TYPE='stereo' WRITE_MODEL FILE='1icv.ini'

The 1ICV file is a downloaded, unaltered pdb file. Any ideas as to what's happening?

Thanks. Ben.