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Re: starting with 6v1



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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