peaks := n15no,c13no,c13ar # names of NOESY peak lists prot := at5g39720 # names of chemical shift lists constraints := at5g39720.aco # additional (non-NOE) constraints tolerance := 0.03,0.03,0.3 0 # chemical shift tolerances calibration := # NOE calibration parameters structures := 100,20 # number of initial, final structures steps := 10000 # number of torsion angle dynamics steps rmsdrange := 18..124 # residue range for RMSD calculation randomseed := 434726 # random number generator seed nproc=4 noeassign peaks=$peaks prot=$prot