9 Jan
2002
9 Jan
'02
10:25 a.m.
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:fisera@rockefeller.edu
New York, NY 10021-6399, USA # http://salilab.org/~andras