On 05/04/2010 03:50 PM, meier@lmb.uni-muenchen.de wrote: > having multiple templates, I want to weight template based restraints > down with respect to other (stereochemical) restraints. Is it then > more sensible to weight down the template based restraints (weight< > 1, weight=1 for rest) or to weight up the other restraints (weight> > 1, weight=1 for rest)? Does it make any difference for the (simulated > annealing) optimization scheme (because the "scale" is changed)?

No, it makes no difference. The weights are all relative, so either of your schemes should work.

Ben Webb, Modeller Caretaker