On Sat, Jun 19, 2010 at 9:41 AM, jp d
sorry it was included with ccp4, (not phenix, my mistake) i tried to send it but hit the size limit with the attachment
I received the rejection notice from the server, so I have the file now. As Ralf already explained, the simulated annealing temperature is far too high - if I leave the default settings alone ( simulated_annealing.start_temperature=5000, simulated_annealing.cool_rate=100), it seems to work without any errors. With a temperature of 550,000K, I'd guess that the protein is being turned into plasma. Therefore, the error message is both intentional and appropriate, although the formatting is a little misleading (it looks too much like a bug). Perhaps we need to set an internal temperature limit too? -Nat