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.