[phenixbb] simulated annealing

Nathaniel Echols nechols at lbl.gov
Sat Jun 19 09:56:17 PDT 2010

On Sat, Jun 19, 2010 at 9:41 AM, jp d <yoyoq at yahoo.com> wrote:

> 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?

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