Dear Modellers,
I am having trouble with my absolute restraints
I have a restraints file read in that looks like this:
MODELLER5 VERSION: MODELLER FORMAT R 3 1 11 34 1 2 0 3520 -16.00 0.01 R 3 1 11 34 1 2 0 3546 -16.00 0.01 R 3 1 11 34 1 2 0 3575 -16.00 0.01
And in my TOP file I add the restraint as follows:
SUBROUTINE ROUTINE = 'special_restraints' READ_RESTRAINTS FILE = 'restraints.rsr' SET ADD_RESTRAINTS = on RETURN END_SUBROUTINE
But it doesn't do anything. I am pretty sure that I am calling on everything correctly, and I have seen this problem posted by others before. Any idea?
Thanks Michael ------------------------------------------------------------------------ -------------------------- Michael Grabe, Ph.D. Post-doctoral Fellow Howard Hughes Medical Institute University of California, San Francisco 1550 4th Street GD482 San Francisco, CA 94143 Michael.Grabe@ucsf.edu tel: ++ 415.476.4021 http://profplum.ucsf.edu/~mgrabe/