Re: # SET SELECTION_SEARCH = 'SPHERE_SEGMENT', SPHERE_RADIUS = 6
To: Bozidar Yerkovich <>, <>
Subject: Re: # SET SELECTION_SEARCH = 'SPHERE_SEGMENT', SPHERE_RADIUS = 6
From: Bozidar Yerkovich <>
Date: Fri, 06 Sep 2002 13:11:25 -0400
Cc: <>
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 ...
>
> 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
>