Can you send more details? the log file? the pdb
On 30 May 2014 22:54, Carter, Charlie <car...@med.unc.edu> wrote: > 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 >
