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
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 ()
> 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 ; http://salilab.org