Dear Giulio
The default routine "model", performes MD with simulated annealing, out
of the five pre-set refinement level it uses refine3.
progress of optimization is in the *.D* files.
Andras
Giulio Rastelli wrote:
>
> Dear modellers,
>
> it is not clear to me whether the 'model' routine in modeller6
> performs MD refinement or not. Even setting the .log verbosity
> to a debugger level, I cannot see the details of MD equilibration
> in the log file.
> Thanks in advance,
>
>
>
> Giulio Rastelli
> Dipartimento di Scienze Farmaceutiche
> Universita di Modena e Reggio Emilia
> Via Campi 183
> 41100 Modena - ITALY
> -------------------------------------
> tel 0039-059-2055145
> fax 0039-059-2055131
> -------------------------------------
--
,
Andras Fiser, PhD # phone: (212) 327 7216
The Rockefeller University # fax: (212) 327 7540
Box 270, 1230 York Avenue # e-mail:
New York, NY 10021-6399, USA # http://salilab.org/~andras