Also, if you are using more than 1 templae, it could be that they are aligned such that equivalent distances in the templates are more than say 5 angstroms different. Check the output of CHECK_ALIGNMENT in the log file please. If this is so, that would also increase the number of parameters needed for the splined restraints (fixed dx).
Andrej
szia@hanga.enzim.hu wrote: > > Hi, > > > Please try > > > > SET SPLINE_ON_SITE = off > > > > before CALL ROUTINE = 'model'. > > Thanks. The program seems to be running now, apart from the fact that it > writes some hundreds of thousands of warnings of the following type to the > log file: > > chkder___W> DVY(i) out of bounds: 6646 6646 0.1013E+13 > > But Andras Fiser was here the day before yesterday and he told me that > this is not an actual problem. > > > Can I put this onto the MODELLER usage mailing list? > > Yes, of course. > > Best, > Andras > > Andras Szilagyi (szia@enzim.hu) > Institute of Enzymology, Hungarian Academy of Sciences > Karolina ut 29., H-1113 Budapest, HUNGARY > Fax: +36 1 166 5465, phone: +36 1 166 5633
-- Andrej Sali, Assistant Professor The Rockefeller University, 1230 York Avenue, New York, NY 10021-6399 tel +1 212 327 7550; lab +1 212 327 7206 ; fax +1 212 327 7540 e-mail sali@rockvax.rockefeller.edu; http://salilab.org