Hello Guys,
I am trying to refine a 3.2 A complex structure with Refmac using TLS.
It seems that I need to decrease the occupancy for a 38 amino acid
peptide in the structure. However, after changing the occupancy to 0.50,
Refmac terminates after 4 rounds of TLS refinement.
The only "error message" I can see is this towards the end of the log file:
Problem
xyz 6480 -1.4325285 -0.92473793 etc.
And then it says that it is writing out coordinate files etc. which is
obviously not happening, because the run was terminated too early.
Is this a bug? Any suggestions?
Thanks a lot,
Krisztian
--
Krisztian Fodor, PhD
EMBL Hamburg c/o DESY
Notkestrasse 85
22603 Hamburg, Germany
Email: fo...@embl-hamburg.de
Phone: +49 40 89902221
Fax: +49 40 89902149
