[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Error using MALIGN3D

MALIGN3D Top files which worked well using Modeler 4 are giving me this
error : 


fndatmi_284E> Beginning atom index for a residue out of bounds:        0
0
recover____E> ERROR_STATUS >= STOP_ON_ERROR:        1       1


I am using the following script


# MALIGN3D
READ_ALIGNMENT FILE = 'pair.aa'
SET ATOM_FILES = '1.pdb' '2.pdb'
SET FIT_ATOMS = 'CA'
MALIGN3D GAP_PENALTIES_3D= 0 2.0, WRITE_FIT = on,  WRITE_WHOLE_PDB = off


If anybody has seen this problem, please help.

Thank you
Michael Buck




************************************************
Michael Buck
NCSU Genetics
mjbuck AT unity.ncsu.edu
Phone  (919)515-5759
Fax 	   (919)515-3355	
http://www4.ncsu.edu/~mjbuck
*************************************************