[ccp4bb] Refmac with TLS terminates early when occupancy changed

2011-12-20 Thread Krisztian Fodor
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

Re: [ccp4bb] Refmac with TLS terminates early when occupancy changed

2011-12-21 Thread Debreczeni, Judit
board [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