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