This is a bizarre problem. I'm trying to superimpose multiple conformations of the same protein using segments I expect not to change. LSQKAB bails with this error each time:
*** RWBROOK error: point code unit function *** 1 -102 2 MMDB_F_Atom *** file : 4ARC_rot.pdb *** reason : internal error #2 -- report to developer *** Execution stopped. It also appears very likely that the superposition is wrong. I expect an RMSD for the superimposed atoms (main chain only) of less than 2 Å, yet the program reports that the RMSD is 7 Å. Thanks to anyone for a diagnosis and prescription. Charlie
