[mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of
Krisztian Fodor
Sent: 20 December 2011 13:57
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Refmac with TLS terminates early when occupancy
changed
Hello Guys,
I am trying to refine a 3.2 A complex structure with Refmac using TLS.
It seems that I need
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
