Hello Miha,
you have to include a user distance-restraint, the
concerning chapter in the manual about these restraints
and the parameters used is named "2.5 Calculation of
spatial restraints".
There is also the FAQ at http://salilab.org/modeller/FAQ.html,
open it and look for "I want to add my own restraints".
This is an example (to be inserted in your .top file):
... [rest of your .top-file...]
CALL ROUTINE = 'model'
SUBROUTINE ROUTINE = 'special_restraints'
SET ATOM_IDS = 'CA:25' 'CA:187'
ADD_RESTRAINT RESTRAINT_PARAMETERS = 3 1 1 27 2 2 0 10.0 1.0
SET ADD_RESTRAINTS = off
RETURN
END_SUBROUTINE
I hope this helps you getting started.
Best wishes and happy modelling,
Thorsten Schweikardt
Molecular Biophysics
Mainz, Germany
> > -----Ursprüngliche Nachricht-----
> > Von: Miha Pavsic [">mailto:]
> > Gesendet: Mittwoch, 3. Dezember 2003 10:54
> > An:
> > Betreff: [modeller_usage] Upper limit distance restraint
> >
> >
> > Hello Modeller users,
> >
> > I am looking for a way to specify upper limit distance restraint
> > between CA atoms of two residues (eg., max 10 A between CA:25 and
> > CA:187). Can someone please give me an example of doing this?
> >
> > Regards,
> > Miha Pavsic
> >
>