Hi,
It's hard to tell what's going on. Please increase your OUTPUT_CONTROL to
1 1 1 1 2 and try again. Then, .log file will be much more informative.
We will release 6v2 tomorrow, so you might want to wait for a day.
Thanks,
Bozidar
On 2/5/02 2:59 PM, "Laurent Troxler" <> wrote:
> Hi,
>
> I am new user of Modeller and as a test I took input files (see bellow)
> from a friend which were successfully run with version 5. After a few
> minutes of computing here is the message I get in the logfile:
>
> ------------------------------------------------------------------------------
> ------
> Initial value of energy before optimization : 15011.7158
> Current energy : 14658.3125
> Symmetry term within energy : 0.0000
> Optimizer exit status : 0
> Number of iterations : 67
> Number of calls to energy function : 139
> Number of updates of dynamic contacts : 8
> Number of non-updates of dynamic contacts : 132
> Final maximal atomic shift : 0.007
>
>
>
> act10___551E> No such routine:
> recover____E> ERROR_STATUS >= STOP_ON_ERROR: 1 1
>
> Dynamically allocated memory at finish [B,kB,MB]:
> 17362145 16955.219 16.558
> Starting time : 2002/05/02
> 10:09:43.976
> Closing time : 2002/05/02
> 10:14:02.653
> Total CPU time [seconds] : 0.00
> ------------------------------------------------------------------------------
> ------
>
> The PDB files come from the PDB server. Is there any problem in the
> input file ?
> Thanks for any help or suggestion
> Laurent
>
>
> ,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,
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