I guess I'll answer this as well ;-)

'SPHERE_SEGMENT', SPHERE_RADIUS = 6 is not working, so it should remain commented out...

Bozidar

> > On behalf of kinsellg@tcd.ie... > > Hi all, > > I've recently started using modeller and I've been able to generate models > and > loops, so far. > > I tried optimising my alignment and I've now hit this snag. I get this error > when trying to generate loops. Also I havn't been able to get the command to > optimise the loop envirionment to work yet. The top and log files are > attached. > > # SET SELECTION_SEARCH = 'SPHERE_SEGMENT', SPHERE_RADIUS = 6 > > Any ideas?? I am very grateful for all your help, > > Gemma > > > The error: > > TOP_________> 189 674 SET OPTIMIZATION_METHOD = 1, MAX_ITERATIONS = 200, > MIN_ > OM_SHIFT = 0.001 > > TOP_________> 190 675 OPTIMIZE SCHEDULE_STEP = 1 > > preppdf_457W> Both soft sphere and statistical potential terms selected. > pair4___223E> Array too small. Increase MPAIRS > current maximum, current need: 33600 33600 > recover____E> ERROR_STATUS >= STOP_ON_ERROR: 1 1 > > Dynamically allocated memory at finish [B,kB,MB]: 14325865 > 13990. > Starting time : 2002/09/05 > 09:56:49. > Closing time : 2002/09/05 > 09:57:00. > Total CPU time [seconds] : 11.04 >