#expand=0
#swap=0

peaks       := cnoeabs.peaks,nnoeabs.peaks,aliabs.peaks  # names of NOESY peak lists
#peaks       := nnoe4abs.peaks,cnoe4abs.peaks #,aronoe.peaks
prot        := noec_sw,noec_sw,d2oc_sw #_sw                     # names of chemical shift lists
restraints := talos2.aco,ssa.cya,hb1.cya #,man.upl #hb4.cya #,gf.aco                 # additional (non-NOE) constraints
tolerance   := 0.030,0.020,0.6         # chemical shift tolerances
upl_values  := 2.5,6.8
calibration_constant :=7.96E+06,6.21E+06,6.15E+06 #8.60E+06,6.10E+06,6.80E+06 #7.82E+06,6.10E+06,6.10E+06   # NOE calibration parameters
structures  := 100,20                   # number of initial, final structures
steps       := 15000                    # number of torsion angle dynamics steps
rmsdrange   := 36..140                  # residue range for RMSD calculation
randomseed  := 434726                   # random number generator seed
#weight_vdw=10
protocol:=cyanalog

subroutine KEEP
#   peaks select "*, * list=nnoe1.peaks,cnoe1.peaks"
   peaks select "*, * number=20000..37999"
end

noeassign peaks=$peaks prot=$prot  autoaco keep=KEEP

~