Member Site Forums Rosetta++ Rosetta++ – General Increase compactness of decoys Reply To: Increase compactness of decoys

Sally Ride

    Indeed, probably the constraints will be my next move if I fail with the standard approaches. At first I would like to get maximum from less biased rosetta runs though and maybe if the energy function drove structures to more compact states the representation of well folded structures could be much higher (at least that is what I hope).

    Anybody knows whether -vdw_reweight, -rg_reweight and -cb_reweight options should affect the folding simulations?

    > Could you try to use the constraints file to restrict the movements?
    > > What are the ways to increase the compactness of decoys in rosetta standard ab initio mode?
    > >
    > > Are the -vdw_reweight and -rg_reweight (and maybe -cb_reweight) the right options to choose? Or they change only the final scoring rather than influence the simulation?
    > >
    > >