Hi,
I have generated a model for my molecule. I'm trying to study a loop region in detail. I followed the instruction in FAQ of the manual and wrote the following Top file:
------------------------------------------------------------------------------- INCLUDE SET SEQUENCE = 'ASLA2' SET MODEL = 'ASLA2.B99990001.pdb' SET ATOM_FILES_DIRECTORY = './:../atom_files' SET OUTPUT_DIRECTORY = './' SET PDB_EXT = '.pdb' SET STARTING_MODEL = 20 SET ENDING_MODEL = 29 SET MD_LEVEL = 'refine1' SET RAND_SEED = -34871 CALL ROUTINE = 'loop'
CALL ROUTINE = 'cluster', ID1 = 20, ID2 = 29
SUBROUTINE ROUTINE = 'select_atoms'
PICK_ATOMS SELECTION_SEGMENT = '49:' '76:', SELECTION_STATUS = 'initialize'
RETURN END_SUBROUTINE
-----------------------------------------------------------------------------
"ASLA2.B99990001.pdb" is the file generated by the previous Modeler run. "49" and "76" are the starting and ending residues of the loop region. I got an error message after running this job:
------------------------------------------------------------------------------- TOP______> 102 414 STRING_OPERATE OPERATION = 'CONCATENATE', ; STRING_ARGUMENTS = SEQUENCE '.mat', RESULT = MATRIX_FI; LE
TOP______> 103 415 SET ROOT_NAME = SEQUENCE
TOP______> 104 416 RETURN
TOP______> 105 591 STRING_OPERATE OPERATION = 'CONCATENATE', ; STRING_ARGUMENTS = '$(JOB).rsr', RESULT = LOOP_CSRFILE
assgn___E> cannot assign a value to a value:
-------------------------------------------------------------------------------
Do you know what went wrong?
Thanks.
Tom