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" L.Troxler@ibmc.u-strasbg.fr 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 > > > ,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,, > @ Laurent TROXLER @@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@/@@/@@/@@@@ > UPR 9022 CNRS, Réponse Immunitaire et / / / \ > Développement chez les Insectes / // // /\ \ > Institut de Biologie Moléculaire et Cellulaire\ / // // / > 15 rue René Descartes \ /\ /\ / > 67084 Strasbourg Cedex - FRANCE /\ /\ /\ \ > E-mail: L.Troxler@ibmc.u-strasbg.fr / // // /\ \ > Tel : (33) 03 88 41 70 07 \ / // // / > @ Fax : (33) 03 88 60 69 22 @@@@@@@@@@@@@@@@@@@@@/@@/@@/@@@ > """"""""""""""""""""""""""""""""""""""""""""""""""/""/""/""""